Product OPENEYE NAME: 5-[(4-fluorophenyl)-(4-methylpiperazin-1-yl)methyl]-3-methyl-isothiazole
CAS Name: 5-[(4-fluorophenyl)-(4-methyl-1-piperazinyl)methyl]-3-methylisothiazole
IUPAC NAME: 5-[(4-fluorophenyl)-(4-methylpiperazin-1-yl)methyl]-3-methyl-1,2-thiazole
SYSTEMATIC NAME: 5-[(4-fluorophenyl)-(4-methylpiperazin-1-yl)methyl]-3-methyl-1,2-thiazole
MOLECULAR FORMULA: C16H20FN3S
MOLECULAR WEIGHT: 305.413503
SMILES: CC1=NSC(=C1)C(C2=CC=C(C=C2)F)N3CCN(CC3)C
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Product OPENEYE NAME: isopropyl 3-[bis(4-fluorophenyl)methoxy]-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate
CAS Name: 3-[bis(4-fluorophenyl)methoxy]-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylic acid propan-2-yl ester
IUPAC NAME: propan-2-yl 3-[bis(4-fluorophenyl)methoxy]-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate
SYSTEMATIC NAME: propan-2-yl 3-[bis(4-fluorophenyl)methoxy]-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate
MOLECULAR FORMULA: C25H29F2NO3
MOLECULAR WEIGHT: 429.499466
SMILES: CC(C)OC(=O)C1C2CCC(N2C)CC1OC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F
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Product OPENEYE NAME: benzyl 3-[bis(4-fluorophenyl)methoxy]-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate
CAS Name: 3-[bis(4-fluorophenyl)methoxy]-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylic acid (phenylmethyl) ester
IUPAC NAME: benzyl 3-[bis(4-fluorophenyl)methoxy]-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate
SYSTEMATIC NAME: (phenylmethyl) 3-[bis(4-fluorophenyl)methoxy]-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate
MOLECULAR FORMULA: C29H29F2NO3
MOLECULAR WEIGHT: 477.542266
SMILES: CN1C2CCC1C(C(C2)OC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F)C(=O)OCC5=CC=CC=C5
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H32O7
MOLECULAR WEIGHT: 384.46388
SMILES: C[C@@H]1CC[C@H]2[C@H](C(O[C@H]3[C@@]24[C@H]1CC[C@](O3)(OO4)C)OCC(C)C(=O)OC)C
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Product OPENEYE NAME: 5-[(2-isobutoxyphenyl)-(4-methylpiperazin-1-yl)methyl]isothiazole
CAS Name: 5-[(4-methyl-1-piperazinyl)-[2-(2-methylpropoxy)phenyl]methyl]isothiazole
IUPAC NAME: 5-[(4-methylpiperazin-1-yl)-[2-(2-methylpropoxy)phenyl]methyl]-1,2-thiazole
SYSTEMATIC NAME: 5-[(4-methylpiperazin-1-yl)-[2-(2-methylpropoxy)phenyl]methyl]-1,2-thiazole
MOLECULAR FORMULA: C19H27N3OS
MOLECULAR WEIGHT: 345.50218
SMILES: CC(C)COC1=CC=CC=C1C(C2=CC=NS2)N3CCN(CC3)C
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Product OPENEYE NAME: 4-[(4-isopropylphenyl)-(4-piperidyloxy)methyl]-3,5-dimethyl-isoxazole
CAS Name: 3,5-dimethyl-4-[4-piperidinyloxy-(4-propan-2-ylphenyl)methyl]isoxazole
IUPAC NAME: 3,5-dimethyl-4-[piperidin-4-yloxy-(4-propan-2-ylphenyl)methyl]-1,2-oxazole
SYSTEMATIC NAME: 3,5-dimethyl-4-[piperidin-4-yloxy-(4-propan-2-ylphenyl)methyl]-1,2-oxazole
MOLECULAR FORMULA: C20H28N2O2
MOLECULAR WEIGHT: 328.44852
SMILES: CC1=C(C(=NO1)C)C(C2=CC=C(C=C2)C(C)C)OC3CCNCC3
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Product OPENEYE NAME: 4-[(4-isopropylphenyl)-(4-piperidylidene)methyl]-3,5-dimethyl-isoxazole
CAS Name: 3,5-dimethyl-4-[4-piperidinylidene-(4-propan-2-ylphenyl)methyl]isoxazole
IUPAC NAME: 3,5-dimethyl-4-[piperidin-4-ylidene-(4-propan-2-ylphenyl)methyl]-1,2-oxazole
SYSTEMATIC NAME: 3,5-dimethyl-4-[piperidin-4-ylidene-(4-propan-2-ylphenyl)methyl]-1,2-oxazole
MOLECULAR FORMULA: C20H26N2O
MOLECULAR WEIGHT: 310.43324
SMILES: CC1=C(C(=NO1)C)C(=C2CCNCC2)C3=CC=C(C=C3)C(C)C
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Product OPENEYE NAME: 5-chloro-3H-oxazolo[4,5-h]quinolin-2-one
CAS Name: 5-chloro-3H-oxazolo[4,5-h]quinolin-2-one
IUPAC NAME: 5-chloro-3H-[1,3]oxazolo[4,5-h]quinolin-2-one
SYSTEMATIC NAME: 5-chloranyl-3H-[1,3]oxazolo[4,5-h]quinolin-2-one
MOLECULAR FORMULA: C10H5ClN2O2
MOLECULAR WEIGHT: 220.6119
SMILES: C1=CC2=C(C=C3C(=C2N=C1)OC(=O)N3)Cl
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Product OPENEYE NAME: [(1R,5R)-2-isopropyl-5-methyl-cyclohexyl] N-(2,6-diisopropylphenoxy)sulfonylcarbamate
CAS Name: N-[2,6-di(propan-2-yl)phenoxy]sulfonylcarbamic acid [(1R,5R)-5-methyl-2-propan-2-ylcyclohexyl] ester
IUPAC NAME: [(1R,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-[2,6-di(propan-2-yl)phenoxy]sulfonylcarbamate
SYSTEMATIC NAME: [(1R,5R)-5-methyl-2-propan-2-yl-cyclohexyl] N-[2,6-di(propan-2-yl)phenoxy]sulfonylcarbamate
MOLECULAR FORMULA: C23H37NO5S
MOLECULAR WEIGHT: 439.60858
SMILES: C[C@@H]1CCC([C@@H](C1)OC(=O)NS(=O)(=O)OC2=C(C=CC=C2C(C)C)C(C)C)C(C)C
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Product OPENEYE NAME: (2,6-diisopropylphenyl) N-(4-methylpiperazin-1-yl)sulfonylcarbamate chloride
CAS Name: N-[(4-methyl-1-piperazinyl)sulfonyl]carbamic acid [2,6-di(propan-2-yl)phenyl] ester chloride
IUPAC NAME: [2,6-di(propan-2-yl)phenyl] N-(4-methylpiperazin-1-yl)sulfonylcarbamate chloride
SYSTEMATIC NAME: [2,6-di(propan-2-yl)phenyl] N-(4-methylpiperazin-1-yl)sulfonylcarbamate chloride
MOLECULAR FORMULA: C18H29ClN3O4S-
MOLECULAR WEIGHT: 418.95856
SMILES: CC(C)C1=C(C(=CC=C1)C(C)C)OC(=O)NS(=O)(=O)N2CCN(CC2)C.[Cl-]
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Product OPENEYE NAME: N-[5-[[5-[(3-amino-3-imino-propyl)carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]-2-(2-bromoprop-2-enoylamino)thiazole-4-carboxamide
CAS Name: N-[5-[[[5-[[(3-amino-3-iminopropyl)amino]-oxomethyl]-1-methyl-3-pyrrolyl]amino]-oxomethyl]-1-methyl-3-pyrrolyl]-2-[(2-bromo-1-oxoprop-2-enyl)amino]-4-thiazolecarboxamide
IUPAC NAME: N-[5-[[5-[(3-amino-3-iminopropyl)carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-2-(2-bromoprop-2-enoylamino)-1,3-thiazole-4-carboxamide
SYSTEMATIC NAME: N-[5-[[5-[(3-azanyl-3-azanylidene-propyl)carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]-2-(2-bromanylprop-2-enoylamino)-1,3-thiazole-4-carboxamide
MOLECULAR FORMULA: C22H24BrN9O4S
MOLECULAR WEIGHT: 590.45286
SMILES: CN1C=C(C=C1C(=O)NCCC(=N)N)NC(=O)C2=CC(=CN2C)NC(=O)C3=CSC(=N3)NC(=O)C(=C)Br
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Product OPENEYE NAME: N-[5-[[5-[(3-amino-3-imino-propyl)carbamoyl]-1-methyl-pyrazol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]-2-[[4-[bis(2-chloroethyl)amino]benzoyl]amino]thiazole-4-carboxamide
CAS Name: N-[5-[[[5-[[(3-amino-3-iminopropyl)amino]-oxomethyl]-1-methyl-3-pyrazolyl]amino]-oxomethyl]-1-methyl-3-pyrrolyl]-2-[[[4-[bis(2-chloroethyl)amino]phenyl]-oxomethyl]amino]-4-thiazolecarboxamide
IUPAC NAME: N-[5-[[5-[(3-amino-3-iminopropyl)carbamoyl]-1-methylpyrazol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-2-[[4-[bis(2-chloroethyl)amino]benzoyl]amino]-1,3-thiazole-4-carboxamide
SYSTEMATIC NAME: N-[5-[[5-[(3-azanyl-3-azanylidene-propyl)carbamoyl]-1-methyl-pyrazol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]-2-[[4-[bis(2-chloroethyl)amino]phenyl]carbonylamino]-1,3-thiazole-4-carboxamide
MOLECULAR FORMULA: C29H33Cl2N11O4S
MOLECULAR WEIGHT: 702.61462
SMILES: CN1C=C(C=C1C(=O)NC2=NN(C(=C2)C(=O)NCCC(=N)N)C)NC(=O)C3=CSC(=N3)NC(=O)C4=CC=C(C=C4)N(CCCl)CCCl
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Product OPENEYE NAME: 2-(aminomethyl)decalin-2-ol
CAS Name: 2-(aminomethyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ol
IUPAC NAME: 2-(aminomethyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ol
SYSTEMATIC NAME: 2-(aminomethyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ol
MOLECULAR FORMULA: C11H21NO
MOLECULAR WEIGHT: 183.29054
SMILES: C1CCC2CC(CCC2C1)(CN)O
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Product OPENEYE NAME: N-[5-[[5-[(3-amino-3-imino-propyl)carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]-2-[[4-[bis(2-chloroethyl)amino]benzoyl]amino]thiazole-4-carboxamide
CAS Name: N-[5-[[[5-[[(3-amino-3-iminopropyl)amino]-oxomethyl]-1-methyl-3-pyrrolyl]amino]-oxomethyl]-1-methyl-3-pyrrolyl]-2-[[[4-[bis(2-chloroethyl)amino]phenyl]-oxomethyl]amino]-4-thiazolecarboxamide
IUPAC NAME: N-[5-[[5-[(3-amino-3-iminopropyl)carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-2-[[4-[bis(2-chloroethyl)amino]benzoyl]amino]-1,3-thiazole-4-carboxamide
SYSTEMATIC NAME: N-[5-[[5-[(3-azanyl-3-azanylidene-propyl)carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]-2-[[4-[bis(2-chloroethyl)amino]phenyl]carbonylamino]-1,3-thiazole-4-carboxamide
MOLECULAR FORMULA: C30H34Cl2N10O4S
MOLECULAR WEIGHT: 701.62656
SMILES: CN1C=C(C=C1C(=O)NCCC(=N)N)NC(=O)C2=CC(=CN2C)NC(=O)C3=CSC(=N3)NC(=O)C4=CC=C(C=C4)N(CCCl)CCCl
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Product OPENEYE NAME: 2-[4-[(6-butyl-3-cyano-2-oxo-1-pyridyl)methyl]phenyl]benzoic acid
CAS Name: 2-[4-[(6-butyl-3-cyano-2-oxo-1-pyridinyl)methyl]phenyl]benzoic acid
IUPAC NAME: 2-[4-[(6-butyl-3-cyano-2-oxopyridin-1-yl)methyl]phenyl]benzoic acid
SYSTEMATIC NAME: 2-[4-[(6-butyl-3-cyano-2-oxidanylidene-pyridin-1-yl)methyl]phenyl]benzoic acid
MOLECULAR FORMULA: C24H22N2O3
MOLECULAR WEIGHT: 386.44308
SMILES: CCCCC1=CC=C(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)C#N
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Product OPENEYE NAME: 5-[(4-isopropylphenyl)-(4-methylpiperazin-1-yl)methyl]-3-methyl-isothiazole
CAS Name: 3-methyl-5-[(4-methyl-1-piperazinyl)-(4-propan-2-ylphenyl)methyl]isothiazole
IUPAC NAME: 3-methyl-5-[(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methyl]-1,2-thiazole
SYSTEMATIC NAME: 3-methyl-5-[(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methyl]-1,2-thiazole
MOLECULAR FORMULA: C19H27N3S
MOLECULAR WEIGHT: 329.50278
SMILES: CC1=NSC(=C1)C(C2=CC=C(C=C2)C(C)C)N3CCN(CC3)C
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Product OPENEYE NAME: 4-[(3R,7R,10S,12S,13R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentyl quinoline-3-carboxylate
CAS Name: 3-quinolinecarboxylic acid 4-[(3R,7R,10S,12S,13R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentyl ester
IUPAC NAME: 4-[(3R,7R,10S,12S,13R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentyl quinoline-3-carboxylate
SYSTEMATIC NAME: 4-[(3R,7R,10S,12S,13R)-10,13-dimethyl-3,7,12-tris(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentyl quinoline-3-carboxylate
MOLECULAR FORMULA: C34H47NO5
MOLECULAR WEIGHT: 549.74068
SMILES: CC(CCCOC(=O)C1=CC2=CC=CC=C2N=C1)C3CCC4[C@@]3([C@H](CC5C4[C@@H](CC6[C@@]5(CC[C@H](C6)O)C)O)O)C
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Product OPENEYE NAME: 4-[(3R,7R,10S,12S,13R)-7,12-dihydroxy-10,13-dimethyl-3-(quinoline-3-carbonyloxy)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentyl quinoline-3-carboxylate
CAS Name: 3-quinolinecarboxylic acid 4-[(3R,7R,10S,12S,13R)-7,12-dihydroxy-10,13-dimethyl-3-[oxo(3-quinolinyl)methoxy]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentyl ester
IUPAC NAME: 4-[(3R,7R,10S,12S,13R)-7,12-dihydroxy-10,13-dimethyl-3-(quinoline-3-carbonyloxy)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentyl quinoline-3-carboxylate
SYSTEMATIC NAME: 4-[(3R,7R,10S,12S,13R)-10,13-dimethyl-7,12-bis(oxidanyl)-3-quinolin-3-ylcarbonyloxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentyl quinoline-3-carboxylate
MOLECULAR FORMULA: C44H52N2O6
MOLECULAR WEIGHT: 704.89348
SMILES: CC(CCCOC(=O)C1=CC2=CC=CC=C2N=C1)C3CCC4[C@@]3([C@H](CC5C4[C@@H](CC6[C@@]5(CC[C@H](C6)OC(=O)C7=CC8=CC=CC=C8N=C7)C)O)O)C
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Product OPENEYE NAME: [(3R,7R,10S,12S,13R)-7,12-dihydroxy-10,13-dimethyl-17-[1-methyl-4-(quinoline-2-carbonyloxy)butyl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] quinoxaline-2-carboxylate
CAS Name: 2-quinoxalinecarboxylic acid [(3R,7R,10S,12S,13R)-7,12-dihydroxy-10,13-dimethyl-17-[5-[oxo(2-quinolinyl)methoxy]pentan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester
IUPAC NAME: [(3R,7R,10S,12S,13R)-7,12-dihydroxy-10,13-dimethyl-17-[5-(quinoline-2-carbonyloxy)pentan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] quinoxaline-2-carboxylate
SYSTEMATIC NAME: [(3R,7R,10S,12S,13R)-10,13-dimethyl-7,12-bis(oxidanyl)-17-(5-quinolin-2-ylcarbonyloxypentan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] quinoxaline-2-carboxylate
MOLECULAR FORMULA: C43H51N3O6
MOLECULAR WEIGHT: 705.88154
SMILES: CC(CCCOC(=O)C1=NC2=CC=CC=C2C=C1)C3CCC4[C@@]3([C@H](CC5C4[C@@H](CC6[C@@]5(CC[C@H](C6)OC(=O)C7=NC8=CC=CC=C8N=C7)C)O)O)C
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