Wednesday, January 2, 2013

All Chemical Compounds Information




Product OPENEYE NAME: [5-(1,3-benzothiazol-2-yl)-2-thienyl]-[4-[[isopropyl(methyl)amino]methyl]-1-piperidyl]methanone
CAS Name: [5-(1,3-benzothiazol-2-yl)-2-thiophenyl]-[4-[[methyl(propan-2-yl)amino]methyl]-1-piperidinyl]methanone
IUPAC NAME: [5-(1,3-benzothiazol-2-yl)thiophen-2-yl]-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone
SYSTEMATIC NAME: [5-(1,3-benzothiazol-2-yl)thiophen-2-yl]-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone
MOLECULAR FORMULA: C22H27N3OS2
MOLECULAR WEIGHT: 413.59928
SMILES: CC(C)N(C)CC1CCN(CC1)C(=O)C2=CC=C(S2)C3=NC4=CC=CC=C4S3
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Product OPENEYE NAME: 4-[4-[[isopropyl(methyl)amino]methyl]piperidine-1-carbonyl]-N,N-dimethyl-benzenesulfonamide
CAS Name: N,N-dimethyl-4-[[4-[[methyl(propan-2-yl)amino]methyl]-1-piperidinyl]-oxomethyl]benzenesulfonamide
IUPAC NAME: N,N-dimethyl-4-[4-[[methyl(propan-2-yl)amino]methyl]piperidine-1-carbonyl]benzenesulfonamide
SYSTEMATIC NAME: N,N-dimethyl-4-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]carbonyl-benzenesulfonamide
MOLECULAR FORMULA: C19H31N3O3S
MOLECULAR WEIGHT: 381.53274
SMILES: CC(C)N(C)CC1CCN(CC1)C(=O)C2=CC=C(C=C2)S(=O)(=O)N(C)C
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Product OPENEYE NAME: [5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-[4-[[isopropyl(methyl)amino]methyl]-1-piperidyl]methanone
CAS Name: [5-(1-azepanylsulfonyl)-2-methoxyphenyl]-[4-[[methyl(propan-2-yl)amino]methyl]-1-piperidinyl]methanone
IUPAC NAME: [5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone
SYSTEMATIC NAME: [5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone
MOLECULAR FORMULA: C24H39N3O4S
MOLECULAR WEIGHT: 465.64916
SMILES: CC(C)N(C)CC1CCN(CC1)C(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC
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Product OPENEYE NAME: N-(3-chlorophenyl)-3-[4-[[isopropyl(methyl)amino]methyl]piperidine-1-carbonyl]-N-methyl-benzenesulfonamide
CAS Name: N-(3-chlorophenyl)-N-methyl-3-[[4-[[methyl(propan-2-yl)amino]methyl]-1-piperidinyl]-oxomethyl]benzenesulfonamide
IUPAC NAME: N-(3-chlorophenyl)-N-methyl-3-[4-[[methyl(propan-2-yl)amino]methyl]piperidine-1-carbonyl]benzenesulfonamide
SYSTEMATIC NAME: N-(3-chlorophenyl)-N-methyl-3-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]carbonyl-benzenesulfonamide
MOLECULAR FORMULA: C24H32ClN3O3S
MOLECULAR WEIGHT: 478.04718
SMILES: CC(C)N(C)CC1CCN(CC1)C(=O)C2=CC(=CC=C2)S(=O)(=O)N(C)C3=CC(=CC=C3)Cl
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Product OPENEYE NAME: [4-chloro-3-(1-piperidylsulfonyl)phenyl]-[4-[[isopropyl(methyl)amino]methyl]-1-piperidyl]methanone
CAS Name: [4-chloro-3-(1-piperidinylsulfonyl)phenyl]-[4-[[methyl(propan-2-yl)amino]methyl]-1-piperidinyl]methanone
IUPAC NAME: (4-chloro-3-piperidin-1-ylsulfonylphenyl)-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone
SYSTEMATIC NAME: (4-chloranyl-3-piperidin-1-ylsulfonyl-phenyl)-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone
MOLECULAR FORMULA: C22H34ClN3O3S
MOLECULAR WEIGHT: 456.04166
SMILES: CC(C)N(C)CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCC3
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Product OPENEYE NAME: (2-chloro-4-nitro-phenyl)-[4-[[isopropyl(methyl)amino]methyl]-1-piperidyl]methanone
CAS Name: (2-chloro-4-nitrophenyl)-[4-[[methyl(propan-2-yl)amino]methyl]-1-piperidinyl]methanone
IUPAC NAME: (2-chloro-4-nitrophenyl)-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone
SYSTEMATIC NAME: (2-chloranyl-4-nitro-phenyl)-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone
MOLECULAR FORMULA: C17H24ClN3O3
MOLECULAR WEIGHT: 353.84376
SMILES: CC(C)N(C)CC1CCN(CC1)C(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl
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Product OPENEYE NAME: [4-[[isopropyl(methyl)amino]methyl]-1-piperidyl]-(3-methyl-4-nitro-phenyl)methanone
CAS Name: (3-methyl-4-nitrophenyl)-[4-[[methyl(propan-2-yl)amino]methyl]-1-piperidinyl]methanone
IUPAC NAME: (3-methyl-4-nitrophenyl)-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone
SYSTEMATIC NAME: (3-methyl-4-nitro-phenyl)-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone
MOLECULAR FORMULA: C18H27N3O3
MOLECULAR WEIGHT: 333.42528
SMILES: CC1=C(C=CC(=C1)C(=O)N2CCC(CC2)CN(C)C(C)C)[N+](=O)[O-]
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Product OPENEYE NAME: [4-[[isopropyl(methyl)amino]methyl]-1-piperidyl]-(4-methoxy-3-morpholinosulfonyl-phenyl)methanone
CAS Name: [4-methoxy-3-(4-morpholinylsulfonyl)phenyl]-[4-[[methyl(propan-2-yl)amino]methyl]-1-piperidinyl]methanone
IUPAC NAME: (4-methoxy-3-morpholin-4-ylsulfonylphenyl)-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone
SYSTEMATIC NAME: (4-methoxy-3-morpholin-4-ylsulfonyl-phenyl)-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone
MOLECULAR FORMULA: C22H35N3O5S
MOLECULAR WEIGHT: 453.5954
SMILES: CC(C)N(C)CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCOCC3
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Product OPENEYE NAME: (2-anilinophenyl)-[4-[[isopropyl(methyl)amino]methyl]-1-piperidyl]methanone
CAS Name: (2-anilinophenyl)-[4-[[methyl(propan-2-yl)amino]methyl]-1-piperidinyl]methanone
IUPAC NAME: (2-anilinophenyl)-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone
SYSTEMATIC NAME: [4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-(2-phenylazanylphenyl)methanone
MOLECULAR FORMULA: C23H31N3O
MOLECULAR WEIGHT: 365.51174
SMILES: CC(C)N(C)CC1CCN(CC1)C(=O)C2=CC=CC=C2NC3=CC=CC=C3
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Product OPENEYE NAME: [4-[[isopropyl(methyl)amino]methyl]-1-piperidyl]-(4-nitrophenyl)methanone
CAS Name: [4-[[methyl(propan-2-yl)amino]methyl]-1-piperidinyl]-(4-nitrophenyl)methanone
IUPAC NAME: [4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-(4-nitrophenyl)methanone
SYSTEMATIC NAME: [4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-(4-nitrophenyl)methanone
MOLECULAR FORMULA: C17H25N3O3
MOLECULAR WEIGHT: 319.3987
SMILES: CC(C)N(C)CC1CCN(CC1)C(=O)C2=CC=C(C=C2)[N+](=O)[O-]
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Product OPENEYE NAME: (4-chloro-2-nitro-phenyl)-[4-[[isopropyl(methyl)amino]methyl]-1-piperidyl]methanone
CAS Name: (4-chloro-2-nitrophenyl)-[4-[[methyl(propan-2-yl)amino]methyl]-1-piperidinyl]methanone
IUPAC NAME: (4-chloro-2-nitrophenyl)-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone
SYSTEMATIC NAME: (4-chloranyl-2-nitro-phenyl)-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone
MOLECULAR FORMULA: C17H24ClN3O3
MOLECULAR WEIGHT: 353.84376
SMILES: CC(C)N(C)CC1CCN(CC1)C(=O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-]
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Product OPENEYE NAME: (4-benzyloxy-3-methoxy-phenyl)-[4-[[isopropyl(methyl)amino]methyl]-1-piperidyl]methanone
CAS Name: (3-methoxy-4-phenylmethoxyphenyl)-[4-[[methyl(propan-2-yl)amino]methyl]-1-piperidinyl]methanone
IUPAC NAME: (3-methoxy-4-phenylmethoxyphenyl)-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone
SYSTEMATIC NAME: (3-methoxy-4-phenylmethoxy-phenyl)-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone
MOLECULAR FORMULA: C25H34N2O3
MOLECULAR WEIGHT: 410.54906
SMILES: CC(C)N(C)CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)OCC3=CC=CC=C3)OC
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Product OPENEYE NAME: 2-chloro-N-[3-[4-[[isopropyl(methyl)amino]methyl]-1-piperidyl]-3-oxo-1-phenyl-propyl]benzamide
CAS Name: 2-chloro-N-[3-[4-[[methyl(propan-2-yl)amino]methyl]-1-piperidinyl]-3-oxo-1-phenylpropyl]benzamide
IUPAC NAME: 2-chloro-N-[3-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-3-oxo-1-phenylpropyl]benzamide
SYSTEMATIC NAME: 2-chloranyl-N-[3-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-3-oxidanylidene-1-phenyl-propyl]benzamide
MOLECULAR FORMULA: C26H34ClN3O2
MOLECULAR WEIGHT: 456.02006
SMILES: CC(C)N(C)CC1CCN(CC1)C(=O)CC(C2=CC=CC=C2)NC(=O)C3=CC=CC=C3Cl
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Product OPENEYE NAME: [4-[(4-chlorophenyl)methoxy]-3-methoxy-phenyl]-[4-[[isopropyl(methyl)amino]methyl]-1-piperidyl]methanone
CAS Name: [4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-[4-[[methyl(propan-2-yl)amino]methyl]-1-piperidinyl]methanone
IUPAC NAME: [4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone
SYSTEMATIC NAME: [4-[(4-chlorophenyl)methoxy]-3-methoxy-phenyl]-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone
MOLECULAR FORMULA: C25H33ClN2O3
MOLECULAR WEIGHT: 444.99412
SMILES: CC(C)N(C)CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)OCC3=CC=C(C=C3)Cl)OC
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Product OPENEYE NAME: N-[3-[4-[[isopropyl(methyl)amino]methyl]piperidine-1-carbonyl]phenyl]thiophene-2-sulfonamide
CAS Name: N-[3-[[4-[[methyl(propan-2-yl)amino]methyl]-1-piperidinyl]-oxomethyl]phenyl]-2-thiophenesulfonamide
IUPAC NAME: N-[3-[4-[[methyl(propan-2-yl)amino]methyl]piperidine-1-carbonyl]phenyl]thiophene-2-sulfonamide
SYSTEMATIC NAME: N-[3-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]carbonylphenyl]thiophene-2-sulfonamide
MOLECULAR FORMULA: C21H29N3O3S2
MOLECULAR WEIGHT: 435.60326
SMILES: CC(C)N(C)CC1CCN(CC1)C(=O)C2=CC(=CC=C2)NS(=O)(=O)C3=CC=CS3
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Product OPENEYE NAME: 5-bromo-N-[4-[2-[4-[[isopropyl(methyl)amino]methyl]-1-piperidyl]-2-oxo-ethyl]phenyl]furan-2-carboxamide
CAS Name: 5-bromo-N-[4-[2-[4-[[methyl(propan-2-yl)amino]methyl]-1-piperidinyl]-2-oxoethyl]phenyl]-2-furancarboxamide
IUPAC NAME: 5-bromo-N-[4-[2-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-2-oxoethyl]phenyl]furan-2-carboxamide
SYSTEMATIC NAME: 5-bromanyl-N-[4-[2-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-2-oxidanylidene-ethyl]phenyl]furan-2-carboxamide
MOLECULAR FORMULA: C23H30BrN3O3
MOLECULAR WEIGHT: 476.4066
SMILES: CC(C)N(C)CC1CCN(CC1)C(=O)CC2=CC=C(C=C2)NC(=O)C3=CC=C(O3)Br
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Product OPENEYE NAME: 1-[4-[[isopropyl(methyl)amino]methyl]-1-piperidyl]-2-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]ethanone
CAS Name: 2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-[4-[[methyl(propan-2-yl)amino]methyl]-1-piperidinyl]ethanone
IUPAC NAME: 2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]ethanone
SYSTEMATIC NAME: 2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]ethanone
MOLECULAR FORMULA: C21H31N5OS
MOLECULAR WEIGHT: 401.56874
SMILES: CC1=CC=CC(=C1)C2=NNC(=S)N2CC(=O)N3CCC(CC3)CN(C)C(C)C
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Product OPENEYE NAME: [4-[[isopropyl(methyl)amino]methyl]-1-piperidyl]-(5-morpholino-4-phenyl-2-thienyl)methanone
CAS Name: [4-[[methyl(propan-2-yl)amino]methyl]-1-piperidinyl]-[5-(4-morpholinyl)-4-phenyl-2-thiophenyl]methanone
IUPAC NAME: [4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-(5-morpholin-4-yl-4-phenylthiophen-2-yl)methanone
SYSTEMATIC NAME: [4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-(5-morpholin-4-yl-4-phenyl-thiophen-2-yl)methanone
MOLECULAR FORMULA: C25H35N3O2S
MOLECULAR WEIGHT: 441.6293
SMILES: CC(C)N(C)CC1CCN(CC1)C(=O)C2=CC(=C(S2)N3CCOCC3)C4=CC=CC=C4
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Product OPENEYE NAME: 1-[4-[[isopropyl(methyl)amino]methyl]-1-piperidyl]-3-[2-nitro-4-(trifluoromethyl)anilino]propan-1-one
CAS Name: 1-[4-[[methyl(propan-2-yl)amino]methyl]-1-piperidinyl]-3-[2-nitro-4-(trifluoromethyl)anilino]-1-propanone
IUPAC NAME: 1-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-3-[2-nitro-4-(trifluoromethyl)anilino]propan-1-one
SYSTEMATIC NAME: 1-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-3-[[2-nitro-4-(trifluoromethyl)phenyl]amino]propan-1-one
MOLECULAR FORMULA: C20H29F3N4O3
MOLECULAR WEIGHT: 430.46447
SMILES: CC(C)N(C)CC1CCN(CC1)C(=O)CCNC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]
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Product OPENEYE NAME: 1-[4-[[isopropyl(methyl)amino]methyl]-1-piperidyl]-2-[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]ethanone
CAS Name: 2-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-[4-[[methyl(propan-2-yl)amino]methyl]-1-piperidinyl]ethanone
IUPAC NAME: 2-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]ethanone
SYSTEMATIC NAME: 2-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]ethanone
MOLECULAR FORMULA: C21H31N5OS
MOLECULAR WEIGHT: 401.56874
SMILES: CC1=CC=C(C=C1)C2=NNC(=S)N2CC(=O)N3CCC(CC3)CN(C)C(C)C
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Product OPENEYE NAME: 2-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]-1-[4-[[isopropyl(methyl)amino]methyl]-1-piperidyl]ethanone
CAS Name: 2-[3-(4-chlorophenyl)-1-phenyl-4-pyrazolyl]-1-[4-[[methyl(propan-2-yl)amino]methyl]-1-piperidinyl]ethanone
IUPAC NAME: 2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-1-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]ethanone
SYSTEMATIC NAME: 2-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]-1-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]ethanone
MOLECULAR FORMULA: C27H33ClN4O
MOLECULAR WEIGHT: 465.03012
SMILES: CC(C)N(C)CC1CCN(CC1)C(=O)CC2=CN(N=C2C3=CC=C(C=C3)Cl)C4=CC=CC=C4
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Product OPENEYE NAME: 4-[2-[4-[[isopropyl(methyl)amino]methyl]-1-piperidyl]-2-oxo-ethyl]-6-nitro-1,4-benzoxazin-3-one
CAS Name: 4-[2-[4-[[methyl(propan-2-yl)amino]methyl]-1-piperidinyl]-2-oxoethyl]-6-nitro-1,4-benzoxazin-3-one
IUPAC NAME: 4-[2-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-2-oxoethyl]-6-nitro-1,4-benzoxazin-3-one
SYSTEMATIC NAME: 4-[2-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-2-oxidanylidene-ethyl]-6-nitro-1,4-benzoxazin-3-one
MOLECULAR FORMULA: C20H28N4O5
MOLECULAR WEIGHT: 404.46012
SMILES: CC(C)N(C)CC1CCN(CC1)C(=O)CN2C(=O)COC3=C2C=C(C=C3)[N+](=O)[O-]
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Product OPENEYE NAME: 1-[4-[[isopropyl(methyl)amino]methyl]-1-piperidyl]-3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propan-1-one
CAS Name: 3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-1-[4-[[methyl(propan-2-yl)amino]methyl]-1-piperidinyl]-1-propanone
IUPAC NAME: 3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-1-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]propan-1-one
SYSTEMATIC NAME: 3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-1-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]propan-1-one
MOLECULAR FORMULA: C28H37N3O2
MOLECULAR WEIGHT: 447.61228
SMILES: CC(C)N(C)CC1CCN(CC1)C(=O)CCC2=C(NC3=CC=CC=C32)C4=CC=C(C=C4)OC
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