Wednesday, May 29, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 2-[isopentyl(2-thienylsulfonyl)amino]-N-[2-(2,2,2-trifluoroethoxy)phenyl]acetamide
CAS Name: 2-[3-methylbutyl(thiophen-2-ylsulfonyl)amino]-N-[2-(2,2,2-trifluoroethoxy)phenyl]acetamide
IUPAC NAME: 2-[3-methylbutyl(thiophen-2-ylsulfonyl)amino]-N-[2-(2,2,2-trifluoroethoxy)phenyl]acetamide
SYSTEMATIC NAME: 2-[3-methylbutyl(thiophen-2-ylsulfonyl)amino]-N-[2-[2,2,2-tris(fluoranyl)ethoxy]phenyl]ethanamide
MOLECULAR FORMULA: C19H23F3N2O4S2
MOLECULAR WEIGHT: 464.52213
SMILES: CC(C)CCN(CC(=O)NC1=CC=CC=C1OCC(F)(F)F)S(=O)(=O)C2=CC=CS2
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Product OPENEYE NAME: 1-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-3-(5-methylisoxazol-3-yl)urea
CAS Name: 1-[2-[(2R,6R)-2,6-dimethyl-4-morpholinyl]ethyl]-3-(5-methyl-3-isoxazolyl)urea
IUPAC NAME: 1-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
SYSTEMATIC NAME: 1-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
MOLECULAR FORMULA: C13H22N4O3
MOLECULAR WEIGHT: 282.33878
SMILES: C[C@@H]1CN(C[C@H](O1)C)CCNC(=O)NC2=NOC(=C2)C
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Product OPENEYE NAME: 1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-3-(5-methylisoxazol-3-yl)urea
CAS Name: 1-[2-[(2S,6R)-2,6-dimethyl-4-morpholinyl]ethyl]-3-(5-methyl-3-isoxazolyl)urea
IUPAC NAME: 1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
SYSTEMATIC NAME: 1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
MOLECULAR FORMULA: C13H22N4O3
MOLECULAR WEIGHT: 282.33878
SMILES: C[C@@H]1CN(C[C@@H](O1)C)CCNC(=O)NC2=NOC(=C2)C
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Product OPENEYE NAME: 1-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-3-(5-methylisoxazol-3-yl)urea
CAS Name: 1-[2-[(2S,6S)-2,6-dimethyl-4-morpholinyl]ethyl]-3-(5-methyl-3-isoxazolyl)urea
IUPAC NAME: 1-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
SYSTEMATIC NAME: 1-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
MOLECULAR FORMULA: C13H22N4O3
MOLECULAR WEIGHT: 282.33878
SMILES: C[C@H]1CN(C[C@@H](O1)C)CCNC(=O)NC2=NOC(=C2)C
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Product OPENEYE NAME: 1-(1,3-benzodioxol-5-yl)-3-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]urea
CAS Name: 1-(1,3-benzodioxol-5-yl)-3-[2-[(2R,6R)-2,6-dimethyl-4-morpholinyl]ethyl]urea
IUPAC NAME: 1-(1,3-benzodioxol-5-yl)-3-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]urea
SYSTEMATIC NAME: 1-(1,3-benzodioxol-5-yl)-3-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]urea
MOLECULAR FORMULA: C16H23N3O4
MOLECULAR WEIGHT: 321.37152
SMILES: C[C@@H]1CN(C[C@H](O1)C)CCNC(=O)NC2=CC3=C(C=C2)OCO3
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Product OPENEYE NAME: 1-(1,3-benzodioxol-5-yl)-3-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]urea
CAS Name: 1-(1,3-benzodioxol-5-yl)-3-[2-[(2R,6S)-2,6-dimethyl-4-morpholinyl]ethyl]urea
IUPAC NAME: 1-(1,3-benzodioxol-5-yl)-3-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]urea
SYSTEMATIC NAME: 1-(1,3-benzodioxol-5-yl)-3-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]urea
MOLECULAR FORMULA: C16H23N3O4
MOLECULAR WEIGHT: 321.37152
SMILES: C[C@@H]1CN(C[C@@H](O1)C)CCNC(=O)NC2=CC3=C(C=C2)OCO3
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Product OPENEYE NAME: 1-(1,3-benzodioxol-5-yl)-3-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]urea
CAS Name: 1-(1,3-benzodioxol-5-yl)-3-[2-[(2S,6S)-2,6-dimethyl-4-morpholinyl]ethyl]urea
IUPAC NAME: 1-(1,3-benzodioxol-5-yl)-3-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]urea
SYSTEMATIC NAME: 1-(1,3-benzodioxol-5-yl)-3-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]urea
MOLECULAR FORMULA: C16H23N3O4
MOLECULAR WEIGHT: 321.37152
SMILES: C[C@H]1CN(C[C@@H](O1)C)CCNC(=O)NC2=CC3=C(C=C2)OCO3
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Product OPENEYE NAME: N-(2-methyl-3-nitro-phenyl)-3-[4-[(2S)-tetrahydrofuran-2-carbonyl]piperazin-1-yl]propanamide
CAS Name: N-(2-methyl-3-nitrophenyl)-3-[4-[oxo-[(2S)-2-oxolanyl]methyl]-1-piperazinyl]propanamide
IUPAC NAME: N-(2-methyl-3-nitrophenyl)-3-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]propanamide
SYSTEMATIC NAME: N-(2-methyl-3-nitro-phenyl)-3-[4-[(2S)-oxolan-2-yl]carbonylpiperazin-1-yl]propanamide
MOLECULAR FORMULA: C19H26N4O5
MOLECULAR WEIGHT: 390.43354
SMILES: CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)CCN2CCN(CC2)C(=O)[C@@H]3CCCO3
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Product OPENEYE NAME: N-(2-methyl-3-nitro-phenyl)-3-[4-[(2R)-tetrahydrofuran-2-carbonyl]piperazin-1-yl]propanamide
CAS Name: N-(2-methyl-3-nitrophenyl)-3-[4-[oxo-[(2R)-2-oxolanyl]methyl]-1-piperazinyl]propanamide
IUPAC NAME: N-(2-methyl-3-nitrophenyl)-3-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]propanamide
SYSTEMATIC NAME: N-(2-methyl-3-nitro-phenyl)-3-[4-[(2R)-oxolan-2-yl]carbonylpiperazin-1-yl]propanamide
MOLECULAR FORMULA: C19H26N4O5
MOLECULAR WEIGHT: 390.43354
SMILES: CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)CCN2CCN(CC2)C(=O)[C@H]3CCCO3
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Product OPENEYE NAME: N-(4-cyanophenyl)-3-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-ium-1-yl]propanamide
CAS Name: N-(4-cyanophenyl)-3-[4-[(2,5-dimethoxyphenyl)methyl]-1-piperazin-1-iumyl]propanamide
IUPAC NAME: N-(4-cyanophenyl)-3-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-ium-1-yl]propanamide
SYSTEMATIC NAME: N-(4-cyanophenyl)-3-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-ium-1-yl]propanamide
MOLECULAR FORMULA: C23H29N4O3+
MOLECULAR WEIGHT: 409.50136
SMILES: COC1=CC(=C(C=C1)OC)CN2CC[NH+](CC2)CCC(=O)NC3=CC=C(C=C3)C#N
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Product OPENEYE NAME: N-(4-cyanophenyl)-3-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]propanamide
CAS Name: N-(4-cyanophenyl)-3-[4-[(2,5-dimethoxyphenyl)methyl]-1-piperazinyl]propanamide
IUPAC NAME: N-(4-cyanophenyl)-3-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]propanamide
SYSTEMATIC NAME: N-(4-cyanophenyl)-3-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]propanamide
MOLECULAR FORMULA: C23H28N4O3
MOLECULAR WEIGHT: 408.49342
SMILES: COC1=CC(=C(C=C1)OC)CN2CCN(CC2)CCC(=O)NC3=CC=C(C=C3)C#N
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Product OPENEYE NAME: N-[(3R)-1-benzylpyrrolidin-1-ium-3-yl]-2-[(2S)-3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetamide
CAS Name: 2-[(2S)-3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]-N-[(3R)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]acetamide
IUPAC NAME: N-[(3R)-1-benzylpyrrolidin-1-ium-3-yl]-2-[(2S)-3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetamide
SYSTEMATIC NAME: 2-[(2S)-3-oxidanylidene-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]-N-[(3R)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]ethanamide
MOLECULAR FORMULA: C22H23F3N3O2S+
MOLECULAR WEIGHT: 450.49713
SMILES: C1C[NH+](C[C@@H]1NC(=O)C[C@H]2C(=O)NC3=C(S2)C=CC(=C3)C(F)(F)F)CC4=CC=CC=C4
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Product OPENEYE NAME: N-[(3R)-1-benzylpyrrolidin-3-yl]-2-[(2S)-3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetamide
CAS Name: 2-[(2S)-3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]-N-[(3R)-1-(phenylmethyl)-3-pyrrolidinyl]acetamide
IUPAC NAME: N-[(3R)-1-benzylpyrrolidin-3-yl]-2-[(2S)-3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetamide
SYSTEMATIC NAME: 2-[(2S)-3-oxidanylidene-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]-N-[(3R)-1-(phenylmethyl)pyrrolidin-3-yl]ethanamide
MOLECULAR FORMULA: C22H22F3N3O2S
MOLECULAR WEIGHT: 449.48919
SMILES: C1CN(C[C@@H]1NC(=O)C[C@H]2C(=O)NC3=C(S2)C=CC(=C3)C(F)(F)F)CC4=CC=CC=C4
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Product OPENEYE NAME: N-[(3R)-1-benzylpyrrolidin-1-ium-3-yl]-2-[(2R)-3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetamide
CAS Name: 2-[(2R)-3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]-N-[(3R)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]acetamide
IUPAC NAME: N-[(3R)-1-benzylpyrrolidin-1-ium-3-yl]-2-[(2R)-3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetamide
SYSTEMATIC NAME: 2-[(2R)-3-oxidanylidene-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]-N-[(3R)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]ethanamide
MOLECULAR FORMULA: C22H23F3N3O2S+
MOLECULAR WEIGHT: 450.49713
SMILES: C1C[NH+](C[C@@H]1NC(=O)C[C@@H]2C(=O)NC3=C(S2)C=CC(=C3)C(F)(F)F)CC4=CC=CC=C4
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Product OPENEYE NAME: N-[(3R)-1-benzylpyrrolidin-3-yl]-2-[(2R)-3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetamide
CAS Name: 2-[(2R)-3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]-N-[(3R)-1-(phenylmethyl)-3-pyrrolidinyl]acetamide
IUPAC NAME: N-[(3R)-1-benzylpyrrolidin-3-yl]-2-[(2R)-3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetamide
SYSTEMATIC NAME: 2-[(2R)-3-oxidanylidene-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]-N-[(3R)-1-(phenylmethyl)pyrrolidin-3-yl]ethanamide
MOLECULAR FORMULA: C22H22F3N3O2S
MOLECULAR WEIGHT: 449.48919
SMILES: C1CN(C[C@@H]1NC(=O)C[C@@H]2C(=O)NC3=C(S2)C=CC(=C3)C(F)(F)F)CC4=CC=CC=C4
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Product OPENEYE NAME: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-2-[(2S)-3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetamide
CAS Name: 2-[(2S)-3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]-N-[(3S)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]acetamide
IUPAC NAME: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-2-[(2S)-3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetamide
SYSTEMATIC NAME: 2-[(2S)-3-oxidanylidene-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]-N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]ethanamide
MOLECULAR FORMULA: C22H23F3N3O2S+
MOLECULAR WEIGHT: 450.49713
SMILES: C1C[NH+](C[C@H]1NC(=O)C[C@H]2C(=O)NC3=C(S2)C=CC(=C3)C(F)(F)F)CC4=CC=CC=C4
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Product OPENEYE NAME: N-[(3S)-1-benzylpyrrolidin-3-yl]-2-[(2S)-3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetamide
CAS Name: 2-[(2S)-3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]-N-[(3S)-1-(phenylmethyl)-3-pyrrolidinyl]acetamide
IUPAC NAME: N-[(3S)-1-benzylpyrrolidin-3-yl]-2-[(2S)-3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetamide
SYSTEMATIC NAME: 2-[(2S)-3-oxidanylidene-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]-N-[(3S)-1-(phenylmethyl)pyrrolidin-3-yl]ethanamide
MOLECULAR FORMULA: C22H22F3N3O2S
MOLECULAR WEIGHT: 449.48919
SMILES: C1CN(C[C@H]1NC(=O)C[C@H]2C(=O)NC3=C(S2)C=CC(=C3)C(F)(F)F)CC4=CC=CC=C4
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Product OPENEYE NAME: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-2-[(2R)-3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetamide
CAS Name: 2-[(2R)-3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]-N-[(3S)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]acetamide
IUPAC NAME: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-2-[(2R)-3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetamide
SYSTEMATIC NAME: 2-[(2R)-3-oxidanylidene-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]-N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]ethanamide
MOLECULAR FORMULA: C22H23F3N3O2S+
MOLECULAR WEIGHT: 450.49713
SMILES: C1C[NH+](C[C@H]1NC(=O)C[C@@H]2C(=O)NC3=C(S2)C=CC(=C3)C(F)(F)F)CC4=CC=CC=C4
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Product OPENEYE NAME: N-[(3S)-1-benzylpyrrolidin-3-yl]-2-[(2R)-3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetamide
CAS Name: 2-[(2R)-3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]-N-[(3S)-1-(phenylmethyl)-3-pyrrolidinyl]acetamide
IUPAC NAME: N-[(3S)-1-benzylpyrrolidin-3-yl]-2-[(2R)-3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetamide
SYSTEMATIC NAME: 2-[(2R)-3-oxidanylidene-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]-N-[(3S)-1-(phenylmethyl)pyrrolidin-3-yl]ethanamide
MOLECULAR FORMULA: C22H22F3N3O2S
MOLECULAR WEIGHT: 449.48919
SMILES: C1CN(C[C@H]1NC(=O)C[C@@H]2C(=O)NC3=C(S2)C=CC(=C3)C(F)(F)F)CC4=CC=CC=C4
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Product OPENEYE NAME: N-[(3R)-1-benzylpyrrolidin-1-ium-3-yl]-6-methyl-pyridine-3-carboxamide
CAS Name: 6-methyl-N-[(3R)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]-3-pyridinecarboxamide
IUPAC NAME: N-[(3R)-1-benzylpyrrolidin-1-ium-3-yl]-6-methylpyridine-3-carboxamide
SYSTEMATIC NAME: 6-methyl-N-[(3R)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]pyridine-3-carboxamide
MOLECULAR FORMULA: C18H22N3O+
MOLECULAR WEIGHT: 296.38678
SMILES: CC1=NC=C(C=C1)C(=O)N[C@@H]2CC[NH+](C2)CC3=CC=CC=C3
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Product OPENEYE NAME: N-[(3R)-1-benzylpyrrolidin-3-yl]-6-methyl-pyridine-3-carboxamide
CAS Name: 6-methyl-N-[(3R)-1-(phenylmethyl)-3-pyrrolidinyl]-3-pyridinecarboxamide
IUPAC NAME: N-[(3R)-1-benzylpyrrolidin-3-yl]-6-methylpyridine-3-carboxamide
SYSTEMATIC NAME: 6-methyl-N-[(3R)-1-(phenylmethyl)pyrrolidin-3-yl]pyridine-3-carboxamide
MOLECULAR FORMULA: C18H21N3O
MOLECULAR WEIGHT: 295.37884
SMILES: CC1=NC=C(C=C1)C(=O)N[C@@H]2CCN(C2)CC3=CC=CC=C3
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Product OPENEYE NAME: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-6-methyl-pyridine-3-carboxamide
CAS Name: 6-methyl-N-[(3S)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]-3-pyridinecarboxamide
IUPAC NAME: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-6-methylpyridine-3-carboxamide
SYSTEMATIC NAME: 6-methyl-N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]pyridine-3-carboxamide
MOLECULAR FORMULA: C18H22N3O+
MOLECULAR WEIGHT: 296.38678
SMILES: CC1=NC=C(C=C1)C(=O)N[C@H]2CC[NH+](C2)CC3=CC=CC=C3
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Product OPENEYE NAME: N-[(3S)-1-benzylpyrrolidin-3-yl]-6-methyl-pyridine-3-carboxamide
CAS Name: 6-methyl-N-[(3S)-1-(phenylmethyl)-3-pyrrolidinyl]-3-pyridinecarboxamide
IUPAC NAME: N-[(3S)-1-benzylpyrrolidin-3-yl]-6-methylpyridine-3-carboxamide
SYSTEMATIC NAME: 6-methyl-N-[(3S)-1-(phenylmethyl)pyrrolidin-3-yl]pyridine-3-carboxamide
MOLECULAR FORMULA: C18H21N3O
MOLECULAR WEIGHT: 295.37884
SMILES: CC1=NC=C(C=C1)C(=O)N[C@H]2CCN(C2)CC3=CC=CC=C3
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