Product OPENEYE NAME: [4-(2-methylthiazol-5-yl)piperazin-1-yl]-[(3S,5S)-5-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]methanone
CAS Name: [4-(2-methyl-5-thiazolyl)-1-piperazinyl]-[(3S,5S)-5-[oxo(1-pyrrolidinyl)methyl]-3-pyrrolidinyl]methanone
IUPAC NAME: [4-(2-methyl-1,3-thiazol-5-yl)piperazin-1-yl]-[(3S,5S)-5-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]methanone
SYSTEMATIC NAME: [4-(2-methyl-1,3-thiazol-5-yl)piperazin-1-yl]-[(3S,5S)-5-pyrrolidin-1-ylcarbonylpyrrolidin-3-yl]methanone
MOLECULAR FORMULA: C18H27N5O2S
MOLECULAR WEIGHT: 377.50428
SMILES: CC1=NC=C(S1)N2CCN(CC2)C(=O)[C@H]3C[C@H](NC3)C(=O)N4CCCC4
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Product OPENEYE NAME: 5-[(1R)-1-[(2R,5R)-5-indan-2-yl-2-isobutyl-3,6-dioxo-piperazin-1-yl]-2-(isopropylamino)-2-oxo-ethyl]-N-methyl-furan-2-carboxamide
CAS Name: 5-[(1R)-1-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxo-1-piperazinyl]-2-oxo-2-(propan-2-ylamino)ethyl]-N-methyl-2-furancarboxamide
IUPAC NAME: 5-[(1R)-1-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-2-oxo-2-(propan-2-ylamino)ethyl]-N-methylfuran-2-carboxamide
SYSTEMATIC NAME: 5-[(1R)-1-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-bis(oxidanylidene)piperazin-1-yl]-2-oxidanylidene-2-(propan-2-ylamino)ethyl]-N-methyl-furan-2-carboxamide
MOLECULAR FORMULA: C28H36N4O5
MOLECULAR WEIGHT: 508.60924
SMILES: CC(C)C[C@@H]1C(=O)N[C@@H](C(=O)N1[C@H](C2=CC=C(O2)C(=O)NC)C(=O)NC(C)C)C3CC4=CC=CC=C4C3
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Product OPENEYE NAME: (2R)-2-(4,5-dimethyl-2-furyl)-2-[(2R,5R)-5-indan-2-yl-2-isobutyl-3,6-dioxo-piperazin-1-yl]-N-isopropyl-acetamide
CAS Name: (2R)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxo-1-piperazinyl]-2-(4,5-dimethyl-2-furanyl)-N-propan-2-ylacetamide
IUPAC NAME: (2R)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-2-(4,5-dimethylfuran-2-yl)-N-propan-2-ylacetamide
SYSTEMATIC NAME: (2R)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-bis(oxidanylidene)piperazin-1-yl]-2-(4,5-dimethylfuran-2-yl)-N-propan-2-yl-ethanamide
MOLECULAR FORMULA: C28H37N3O4
MOLECULAR WEIGHT: 479.61108
SMILES: CC1=C(OC(=C1)[C@H](C(=O)NC(C)C)N2[C@@H](C(=O)N[C@@H](C2=O)C3CC4=CC=CC=C4C3)CC(C)C)C
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Product OPENEYE NAME: 4-[2-[4-[(4-methylsulfanylphenyl)-(2-thienyl)methyl]phenoxy]ethyl]morpholine
CAS Name: 4-[2-[4-[[4-(methylthio)phenyl]-thiophen-2-ylmethyl]phenoxy]ethyl]morpholine
IUPAC NAME: 4-[2-[4-[(4-methylsulfanylphenyl)-thiophen-2-ylmethyl]phenoxy]ethyl]morpholine
SYSTEMATIC NAME: 4-[2-[4-[(4-methylsulfanylphenyl)-thiophen-2-yl-methyl]phenoxy]ethyl]morpholine
MOLECULAR FORMULA: C24H27NO2S2
MOLECULAR WEIGHT: 425.60668
SMILES: CSC1=CC=C(C=C1)C(C2=CC=C(C=C2)OCCN3CCOCC3)C4=CC=CS4
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CAS Name:
IUPAC NAME:
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MOLECULAR FORMULA: C42H44N4O10
MOLECULAR WEIGHT: 764.81956
SMILES: CCC1=C(C2=CC3=NC(=CC4=C(C(=C(N4)C(=C5C(=C(C(=N5)C=C1N2)C)C(=O)OC)C(=O)OC)CCC(=O)OC)C)[C@]6(C3=CC=C([C@H]6C(=O)OC)C(=O)OC)C)C
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Product OPENEYE NAME: N,N-dimethyl-2-[4-[(4-methylsulfanylphenyl)-(2-thienyl)methyl]phenoxy]ethanamine
CAS Name: N,N-dimethyl-2-[4-[[4-(methylthio)phenyl]-thiophen-2-ylmethyl]phenoxy]ethanamine
IUPAC NAME: N,N-dimethyl-2-[4-[(4-methylsulfanylphenyl)-thiophen-2-ylmethyl]phenoxy]ethanamine
SYSTEMATIC NAME: N,N-dimethyl-2-[4-[(4-methylsulfanylphenyl)-thiophen-2-yl-methyl]phenoxy]ethanamine
MOLECULAR FORMULA: C22H25NOS2
MOLECULAR WEIGHT: 383.57
SMILES: CN(C)CCOC1=CC=C(C=C1)C(C2=CC=C(C=C2)SC)C3=CC=CS3
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Product OPENEYE NAME: 6-chloro-N-[1-[4-[2-[(dimethylamino)methyl]imidazol-1-yl]-2-fluoro-phenyl]-2-oxo-pyrrolidin-3-yl]naphthalene-2-sulfonamide
CAS Name: 6-chloro-N-[1-[4-[2-[(dimethylamino)methyl]-1-imidazolyl]-2-fluorophenyl]-2-oxo-3-pyrrolidinyl]-2-naphthalenesulfonamide
IUPAC NAME: 6-chloro-N-[1-[4-[2-[(dimethylamino)methyl]imidazol-1-yl]-2-fluorophenyl]-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide
SYSTEMATIC NAME: 6-chloranyl-N-[1-[4-[2-[(dimethylamino)methyl]imidazol-1-yl]-2-fluoranyl-phenyl]-2-oxidanylidene-pyrrolidin-3-yl]naphthalene-2-sulfonamide
MOLECULAR FORMULA: C26H25ClFN5O3S
MOLECULAR WEIGHT: 542.024803
SMILES: CN(C)CC1=NC=CN1C2=CC(=C(C=C2)N3CCC(C3=O)NS(=O)(=O)C4=CC5=C(C=C4)C=C(C=C5)Cl)F
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Product OPENEYE NAME: 6-chloro-N-[1-[4-[2-[(dimethylamino)methyl]imidazol-1-yl]-2-fluoro-phenyl]-2-oxo-pyrrolidin-3-yl]benzothiophene-2-sulfonamide
CAS Name: 6-chloro-N-[1-[4-[2-[(dimethylamino)methyl]-1-imidazolyl]-2-fluorophenyl]-2-oxo-3-pyrrolidinyl]-1-benzothiophene-2-sulfonamide
IUPAC NAME: 6-chloro-N-[1-[4-[2-[(dimethylamino)methyl]imidazol-1-yl]-2-fluorophenyl]-2-oxopyrrolidin-3-yl]-1-benzothiophene-2-sulfonamide
SYSTEMATIC NAME: 6-chloranyl-N-[1-[4-[2-[(dimethylamino)methyl]imidazol-1-yl]-2-fluoranyl-phenyl]-2-oxidanylidene-pyrrolidin-3-yl]-1-benzothiophene-2-sulfonamide
MOLECULAR FORMULA: C24H23ClFN5O3S2
MOLECULAR WEIGHT: 548.052523
SMILES: CN(C)CC1=NC=CN1C2=CC(=C(C=C2)N3CCC(C3=O)NS(=O)(=O)C4=CC5=C(S4)C=C(C=C5)Cl)F
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Product OPENEYE NAME: 5-(4-benzyloxy-3-methoxy-phenyl)-2-(4-chlorophenyl)-3-phenyl-tetrazol-2-ium chloride
CAS Name: 2-(4-chlorophenyl)-5-(3-methoxy-4-phenylmethoxyphenyl)-3-phenyltetrazol-2-ium chloride
IUPAC NAME: 2-(4-chlorophenyl)-5-(3-methoxy-4-phenylmethoxyphenyl)-3-phenyltetrazol-2-ium chloride
SYSTEMATIC NAME: 2-(4-chlorophenyl)-5-(3-methoxy-4-phenylmethoxy-phenyl)-3-phenyl-1,2,3,4-tetrazol-2-ium chloride
MOLECULAR FORMULA: C27H22Cl2N4O2
MOLECULAR WEIGHT: 505.39518
SMILES: COC1=C(C=CC(=C1)C2=NN([N+](=N2)C3=CC=C(C=C3)Cl)C4=CC=CC=C4)OCC5=CC=CC=C5.[Cl-]
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Product OPENEYE NAME: 5-(4-benzyloxy-3-methoxy-phenyl)-2-(4-chlorophenyl)-3-phenyl-tetrazol-2-ium
CAS Name: 2-(4-chlorophenyl)-5-(3-methoxy-4-phenylmethoxyphenyl)-3-phenyltetrazol-2-ium
IUPAC NAME: 2-(4-chlorophenyl)-5-(3-methoxy-4-phenylmethoxyphenyl)-3-phenyltetrazol-2-ium
SYSTEMATIC NAME: 2-(4-chlorophenyl)-5-(3-methoxy-4-phenylmethoxy-phenyl)-3-phenyl-1,2,3,4-tetrazol-2-ium
MOLECULAR FORMULA: C27H22ClN4O2+
MOLECULAR WEIGHT: 469.94218
SMILES: COC1=C(C=CC(=C1)C2=NN([N+](=N2)C3=CC=C(C=C3)Cl)C4=CC=CC=C4)OCC5=CC=CC=C5
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Product OPENEYE NAME: 2-(4-chlorophenyl)-3-phenyl-5-(4-phenylphenyl)tetrazol-2-ium chloride
CAS Name: 2-(4-chlorophenyl)-3-phenyl-5-(4-phenylphenyl)tetrazol-2-ium chloride
IUPAC NAME: 2-(4-chlorophenyl)-3-phenyl-5-(4-phenylphenyl)tetrazol-2-ium chloride
SYSTEMATIC NAME: 2-(4-chlorophenyl)-3-phenyl-5-(4-phenylphenyl)-1,2,3,4-tetrazol-2-ium chloride
MOLECULAR FORMULA: C25H18Cl2N4
MOLECULAR WEIGHT: 445.34322
SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NN([N+](=N3)C4=CC=C(C=C4)Cl)C5=CC=CC=C5.[Cl-]
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Product OPENEYE NAME: 2-(4-chlorophenyl)-3-phenyl-5-(4-phenylphenyl)tetrazol-2-ium
CAS Name: 2-(4-chlorophenyl)-3-phenyl-5-(4-phenylphenyl)tetrazol-2-ium
IUPAC NAME: 2-(4-chlorophenyl)-3-phenyl-5-(4-phenylphenyl)tetrazol-2-ium
SYSTEMATIC NAME: 2-(4-chlorophenyl)-3-phenyl-5-(4-phenylphenyl)-1,2,3,4-tetrazol-2-ium
MOLECULAR FORMULA: C25H18ClN4+
MOLECULAR WEIGHT: 409.89022
SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NN([N+](=N3)C4=CC=C(C=C4)Cl)C5=CC=CC=C5
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Product OPENEYE NAME: tripotassium (2S)-2-[[3-[[(3S,8R,9S,10S,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]propoxy-oxido-phosphoryl]amino]pentanedioate
CAS Name: tripotassium (2S)-2-[[3-[[(3S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]propoxy-oxidophosphoryl]amino]pentanedioate
IUPAC NAME: tripotassium (2S)-2-[[3-[[(3S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]propoxy-oxidophosphoryl]amino]pentanedioate
SYSTEMATIC NAME: tripotassium (2S)-2-[[3-[[(3S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]propoxy-oxidanidyl-phosphoryl]amino]pentanedioate
MOLECULAR FORMULA: C35H59K3NO8P
MOLECULAR WEIGHT: 770.113521
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4[C@@]3(CC[C@@H](C4)OCCCOP(=O)(N[C@@H](CCC(=O)[O-])C(=O)[O-])[O-])C)C.[K+].[K+].[K+]
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Product OPENEYE NAME: (2S)-2-[[3-[[(3S,8R,9S,10S,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]propoxy-hydroxy-phosphoryl]amino]pentanedioic acid
CAS Name: (2S)-2-[[3-[[(3S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]propoxy-hydroxyphosphoryl]amino]pentanedioic acid
IUPAC NAME: (2S)-2-[[3-[[(3S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]propoxy-hydroxyphosphoryl]amino]pentanedioic acid
SYSTEMATIC NAME: (2S)-2-[[3-[[(3S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]propoxy-oxidanyl-phosphoryl]amino]pentanedioic acid
MOLECULAR FORMULA: C35H62NO8P
MOLECULAR WEIGHT: 655.842441
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4[C@@]3(CC[C@@H](C4)OCCCOP(=O)(N[C@@H](CCC(=O)O)C(=O)O)O)C)C
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Product OPENEYE NAME: tripotassium (2S)-2-[[3-[[(3S,5S,8R,9S,10S,13S,14S)-10,13-dimethyl-17-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]propoxy-oxido-phosphoryl]amino]pentanedioate
CAS Name: tripotassium (2S)-2-[[3-[[(3S,5S,8R,9S,10S,13S,14S)-10,13-dimethyl-17-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]propoxy-oxidophosphoryl]amino]pentanedioate
IUPAC NAME: tripotassium (2S)-2-[[3-[[(3S,5S,8R,9S,10S,13S,14S)-10,13-dimethyl-17-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]propoxy-oxidophosphoryl]amino]pentanedioate
SYSTEMATIC NAME: tripotassium (2S)-2-[[3-[[(3S,5S,8R,9S,10S,13S,14S)-10,13-dimethyl-17-oxidanylidene-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]propoxy-oxidanidyl-phosphoryl]amino]pentanedioate
MOLECULAR FORMULA: C27H41K3NO9P
MOLECULAR WEIGHT: 671.884401
SMILES: C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)OCCCOP(=O)(N[C@@H](CCC(=O)[O-])C(=O)[O-])[O-].[K+].[K+].[K+]
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Product OPENEYE NAME: (2S)-2-[[3-[[(3S,5S,8R,9S,10S,13S,14S)-10,13-dimethyl-17-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]propoxy-hydroxy-phosphoryl]amino]pentanedioic acid
CAS Name: (2S)-2-[[3-[[(3S,5S,8R,9S,10S,13S,14S)-10,13-dimethyl-17-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]propoxy-hydroxyphosphoryl]amino]pentanedioic acid
IUPAC NAME: (2S)-2-[[3-[[(3S,5S,8R,9S,10S,13S,14S)-10,13-dimethyl-17-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]propoxy-hydroxyphosphoryl]amino]pentanedioic acid
SYSTEMATIC NAME: (2S)-2-[[3-[[(3S,5S,8R,9S,10S,13S,14S)-10,13-dimethyl-17-oxidanylidene-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]propoxy-oxidanyl-phosphoryl]amino]pentanedioic acid
MOLECULAR FORMULA: C27H44NO9P
MOLECULAR WEIGHT: 557.613321
SMILES: C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)OCCCOP(=O)(N[C@@H](CCC(=O)O)C(=O)O)O
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