Product OPENEYE NAME: 1-benzyl-4-(3-furyl)-7-[[6-(3-hydroxy-6,8-dioxabicyclo[3.2.1]octan-3-yl)-2-pyridyl]methoxy]quinolin-2-one
CAS Name: 4-(3-furanyl)-7-[[6-(3-hydroxy-6,8-dioxabicyclo[3.2.1]octan-3-yl)-2-pyridinyl]methoxy]-1-(phenylmethyl)-2-quinolinone
IUPAC NAME: 1-benzyl-4-(furan-3-yl)-7-[[6-(3-hydroxy-6,8-dioxabicyclo[3.2.1]octan-3-yl)pyridin-2-yl]methoxy]quinolin-2-one
SYSTEMATIC NAME: 4-(furan-3-yl)-7-[[6-(3-oxidanyl-6,8-dioxabicyclo[3.2.1]octan-3-yl)pyridin-2-yl]methoxy]-1-(phenylmethyl)quinolin-2-one
MOLECULAR FORMULA: C32H28N2O6
MOLECULAR WEIGHT: 536.57452
SMILES: C1C2COC(O2)CC1(C3=NC(=CC=C3)COC4=CC5=C(C=C4)C(=CC(=O)N5CC6=CC=CC=C6)C7=COC=C7)O
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Product OPENEYE NAME: 4-(3-furyl)-7-[[6-(3-hydroxy-6,8-dioxabicyclo[3.2.1]octan-3-yl)-2-pyridyl]methoxy]quinoline-2-carbonitrile
CAS Name: 4-(3-furanyl)-7-[[6-(3-hydroxy-6,8-dioxabicyclo[3.2.1]octan-3-yl)-2-pyridinyl]methoxy]-2-quinolinecarbonitrile
IUPAC NAME: 4-(furan-3-yl)-7-[[6-(3-hydroxy-6,8-dioxabicyclo[3.2.1]octan-3-yl)pyridin-2-yl]methoxy]quinoline-2-carbonitrile
SYSTEMATIC NAME: 4-(furan-3-yl)-7-[[6-(3-oxidanyl-6,8-dioxabicyclo[3.2.1]octan-3-yl)pyridin-2-yl]methoxy]quinoline-2-carbonitrile
MOLECULAR FORMULA: C26H21N3O5
MOLECULAR WEIGHT: 455.46204
SMILES: C1C2COC(O2)CC1(C3=NC(=CC=C3)COC4=CC5=NC(=CC(=C5C=C4)C6=COC=C6)C#N)O
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IUPAC NAME:
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MOLECULAR FORMULA: C85H30N2O6
MOLECULAR WEIGHT: 1175.1575
SMILES: C1=CC(=CC=C1CCNC(=O)CCC(=O)O)C2(C34C25C6=C7C8=C9C1=C2C%10=C%11C%12=C1C1C8C8=C7C3=C3C7=C8C8=C%13C7=C7C%14=C%15C%16=C%17C%18=C%19C(=C%20C2=C9C6=C2C%20=C%19C6=C%17C9=C(C6=C52)C4=C3C7=C%159)C%10=C2C%11=C3C(=C%13C%14=C3C%16=C2%18)C%12=C18)C1=CC=C(C=C1)CCNC(=O)
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Product OPENEYE NAME: ethyl 4-oxo-7-(5-oxotetrahydrofuran-2-yl)-1H-quinoline-3-carboxylate
CAS Name: 4-oxo-7-(5-oxo-2-oxolanyl)-1H-quinoline-3-carboxylic acid ethyl ester
IUPAC NAME: ethyl 4-oxo-7-(5-oxooxolan-2-yl)-1H-quinoline-3-carboxylate
SYSTEMATIC NAME: ethyl 4-oxidanylidene-7-(5-oxidanylideneoxolan-2-yl)-1H-quinoline-3-carboxylate
MOLECULAR FORMULA: C16H15NO5
MOLECULAR WEIGHT: 301.294
SMILES: CCOC(=O)C1=CNC2=C(C1=O)C=CC(=C2)C3CCC(=O)O3
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Product OPENEYE NAME: (2S)-2-[[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-indol-3-yl]acetyl]amino]-3-(1H-indol-3-yl)propanoic acid
CAS Name: (2S)-2-[[2-[1-[(4-chlorophenyl)-oxomethyl]-5-methoxy-2-methyl-3-indolyl]-1-oxoethyl]amino]-3-(1H-indol-3-yl)propanoic acid
IUPAC NAME: (2S)-2-[[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]amino]-3-(1H-indol-3-yl)propanoic acid
SYSTEMATIC NAME: (2S)-2-[2-[1-(4-chlorophenyl)carbonyl-5-methoxy-2-methyl-indol-3-yl]ethanoylamino]-3-(1H-indol-3-yl)propanoic acid
MOLECULAR FORMULA: C30H26ClN3O5
MOLECULAR WEIGHT: 543.99754
SMILES: CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)N[C@@H](CC4=CNC5=CC=CC=C54)C(=O)O
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Product OPENEYE NAME: (2S)-2-amino-N-(2,4-diamino-6-phenyl-pteridin-7-yl)-4-methyl-pentanamide
CAS Name: (2S)-2-amino-N-(2,4-diamino-6-phenyl-7-pteridinyl)-4-methylpentanamide
IUPAC NAME: (2S)-2-amino-N-(2,4-diamino-6-phenylpteridin-7-yl)-4-methylpentanamide
SYSTEMATIC NAME: (2S)-2-azanyl-N-[2,4-bis(azanyl)-6-phenyl-pteridin-7-yl]-4-methyl-pentanamide
MOLECULAR FORMULA: C18H22N8O
MOLECULAR WEIGHT: 366.42028
SMILES: CC(C)C[C@@H](C(=O)NC1=NC2=C(C(=NC(=N2)N)N)N=C1C3=CC=CC=C3)N
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Product OPENEYE NAME: 3-[4-[2-[[4-(5-carbamoyl-1H-indol-3-yl)cyclohex-3-en-1-yl]amino]ethylamino]cyclohexen-1-yl]-1H-indole-5-carboxamide
CAS Name: 3-[4-[2-[[4-(5-carbamoyl-1H-indol-3-yl)-1-cyclohex-3-enyl]amino]ethylamino]-1-cyclohexenyl]-1H-indole-5-carboxamide
IUPAC NAME: 3-[4-[2-[[4-(5-carbamoyl-1H-indol-3-yl)cyclohex-3-en-1-yl]amino]ethylamino]cyclohexen-1-yl]-1H-indole-5-carboxamide
SYSTEMATIC NAME: 3-[4-[2-[[4-(5-aminocarbonyl-1H-indol-3-yl)cyclohex-3-en-1-yl]amino]ethylamino]cyclohexen-1-yl]-1H-indole-5-carboxamide
MOLECULAR FORMULA: C32H36N6O2
MOLECULAR WEIGHT: 536.66724
SMILES: C1CC(=CCC1NCCNC2CCC(=CC2)C3=CNC4=C3C=C(C=C4)C(=O)N)C5=CNC6=C5C=C(C=C6)C(=O)N
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Product OPENEYE NAME: N-[1-methyl-5-[6-(2-morpholinoethylcarbamoyl)-1H-benzimidazol-2-yl]pyrrol-3-yl]isoquinoline-3-carboxamide
CAS Name: N-[1-methyl-5-[6-[[2-(4-morpholinyl)ethylamino]-oxomethyl]-1H-benzimidazol-2-yl]-3-pyrrolyl]-3-isoquinolinecarboxamide
IUPAC NAME: N-[1-methyl-5-[6-(2-morpholin-4-ylethylcarbamoyl)-1H-benzimidazol-2-yl]pyrrol-3-yl]isoquinoline-3-carboxamide
SYSTEMATIC NAME: N-[1-methyl-5-[6-(2-morpholin-4-ylethylcarbamoyl)-1H-benzimidazol-2-yl]pyrrol-3-yl]isoquinoline-3-carboxamide
MOLECULAR FORMULA: C29H29N7O3
MOLECULAR WEIGHT: 523.58566
SMILES: CN1C=C(C=C1C2=NC3=C(N2)C=C(C=C3)C(=O)NCCN4CCOCC4)NC(=O)C5=CC6=CC=CC=C6C=N5
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Product OPENEYE NAME: 3-[4-[5-[[4-(5-carbamoyl-1H-indol-3-yl)cyclohex-3-en-1-yl]amino]pentylamino]cyclohexen-1-yl]-1H-indole-5-carboxamide
CAS Name: 3-[4-[5-[[4-(5-carbamoyl-1H-indol-3-yl)-1-cyclohex-3-enyl]amino]pentylamino]-1-cyclohexenyl]-1H-indole-5-carboxamide
IUPAC NAME: 3-[4-[5-[[4-(5-carbamoyl-1H-indol-3-yl)cyclohex-3-en-1-yl]amino]pentylamino]cyclohexen-1-yl]-1H-indole-5-carboxamide
SYSTEMATIC NAME: 3-[4-[5-[[4-(5-aminocarbonyl-1H-indol-3-yl)cyclohex-3-en-1-yl]amino]pentylamino]cyclohexen-1-yl]-1H-indole-5-carboxamide
MOLECULAR FORMULA: C35H42N6O2
MOLECULAR WEIGHT: 578.74698
SMILES: C1CC(=CCC1NCCCCCNC2CCC(=CC2)C3=CNC4=C3C=C(C=C4)C(=O)N)C5=CNC6=C5C=C(C=C6)C(=O)N
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Product OPENEYE NAME: 2-[4-[(4-chloro-2-fluoro-benzoyl)amino]-1-methyl-pyrrol-2-yl]-N-(2-morpholinoethyl)-3H-benzimidazole-5-carboxamide
CAS Name: 2-[4-[[(4-chloro-2-fluorophenyl)-oxomethyl]amino]-1-methyl-2-pyrrolyl]-N-[2-(4-morpholinyl)ethyl]-3H-benzimidazole-5-carboxamide
IUPAC NAME: 2-[4-[(4-chloro-2-fluorobenzoyl)amino]-1-methylpyrrol-2-yl]-N-(2-morpholin-4-ylethyl)-3H-benzimidazole-5-carboxamide
SYSTEMATIC NAME: 2-[4-[(4-chloranyl-2-fluoranyl-phenyl)carbonylamino]-1-methyl-pyrrol-2-yl]-N-(2-morpholin-4-ylethyl)-3H-benzimidazole-5-carboxamide
MOLECULAR FORMULA: C26H26ClFN6O3
MOLECULAR WEIGHT: 524.974443
SMILES: CN1C=C(C=C1C2=NC3=C(N2)C=C(C=C3)C(=O)NCCN4CCOCC4)NC(=O)C5=C(C=C(C=C5)Cl)F
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Product OPENEYE NAME: 2-[[4-[(2-amino-4-oxo-1H-quinazolin-6-yl)methyl-(3-cyanopropyl)amino]benzoyl]amino]pentanedioic acid
CAS Name: 2-[[[4-[(2-amino-4-oxo-1H-quinazolin-6-yl)methyl-(3-cyanopropyl)amino]phenyl]-oxomethyl]amino]pentanedioic acid
IUPAC NAME: 2-[[4-[(2-amino-4-oxo-1H-quinazolin-6-yl)methyl-(3-cyanopropyl)amino]benzoyl]amino]pentanedioic acid
SYSTEMATIC NAME: 2-[[4-[(2-azanyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-(3-cyanopropyl)amino]phenyl]carbonylamino]pentanedioic acid
MOLECULAR FORMULA: C25H26N6O6
MOLECULAR WEIGHT: 506.51054
SMILES: C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)N(CCCC#N)CC2=CC3=C(C=C2)NC(=NC3=O)N
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Product OPENEYE NAME: 2-[[4-[(2-amino-4-oxo-1H-quinazolin-6-yl)methyl-(cyclopropylmethyl)amino]benzoyl]amino]pentanedioic acid
CAS Name: 2-[[[4-[(2-amino-4-oxo-1H-quinazolin-6-yl)methyl-(cyclopropylmethyl)amino]phenyl]-oxomethyl]amino]pentanedioic acid
IUPAC NAME: 2-[[4-[(2-amino-4-oxo-1H-quinazolin-6-yl)methyl-(cyclopropylmethyl)amino]benzoyl]amino]pentanedioic acid
SYSTEMATIC NAME: 2-[[4-[(2-azanyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-(cyclopropylmethyl)amino]phenyl]carbonylamino]pentanedioic acid
MOLECULAR FORMULA: C25H27N5O6
MOLECULAR WEIGHT: 493.51178
SMILES: C1CC1CN(CC2=CC3=C(C=C2)NC(=NC3=O)N)C4=CC=C(C=C4)C(=O)NC(CCC(=O)O)C(=O)O
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Product OPENEYE NAME: 2-[4-[(3-chlorothiophene-2-carbonyl)amino]-1-methyl-pyrrol-2-yl]-N-(2-morpholinoethyl)-3H-benzimidazole-5-carboxamide
CAS Name: 2-[4-[[(3-chloro-2-thiophenyl)-oxomethyl]amino]-1-methyl-2-pyrrolyl]-N-[2-(4-morpholinyl)ethyl]-3H-benzimidazole-5-carboxamide
IUPAC NAME: 2-[4-[(3-chlorothiophene-2-carbonyl)amino]-1-methylpyrrol-2-yl]-N-(2-morpholin-4-ylethyl)-3H-benzimidazole-5-carboxamide
SYSTEMATIC NAME: 2-[4-[(3-chloranylthiophen-2-yl)carbonylamino]-1-methyl-pyrrol-2-yl]-N-(2-morpholin-4-ylethyl)-3H-benzimidazole-5-carboxamide
MOLECULAR FORMULA: C24H25ClN6O3S
MOLECULAR WEIGHT: 513.0117
SMILES: CN1C=C(C=C1C2=NC3=C(N2)C=C(C=C3)C(=O)NCCN4CCOCC4)NC(=O)C5=C(C=CS5)Cl
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Product OPENEYE NAME: 4-amino-3-nitro-6-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyridin-2-one
CAS Name: 4-amino-3-nitro-6-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-pyridinone
IUPAC NAME: 4-amino-3-nitro-6-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyridin-2-one
SYSTEMATIC NAME: 4-azanyl-3-nitro-6-propyl-1-[[4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]pyridin-2-one
MOLECULAR FORMULA: C22H21N7O3
MOLECULAR WEIGHT: 431.44724
SMILES: CCCC1=CC(=C(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)[N+](=O)[O-])N
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Product OPENEYE NAME: ethyl 6-[3-[3-(isopentylamino)-3-oxo-propyl]-2,6-dioxo-3-piperidyl]-4-oxo-1H-quinoline-3-carboxylate
CAS Name: 6-[3-[3-(3-methylbutylamino)-3-oxopropyl]-2,6-dioxo-3-piperidinyl]-4-oxo-1H-quinoline-3-carboxylic acid ethyl ester
IUPAC NAME: ethyl 6-[3-[3-(3-methylbutylamino)-3-oxopropyl]-2,6-dioxopiperidin-3-yl]-4-oxo-1H-quinoline-3-carboxylate
SYSTEMATIC NAME: ethyl 6-[3-[3-(3-methylbutylamino)-3-oxidanylidene-propyl]-2,6-bis(oxidanylidene)piperidin-3-yl]-4-oxidanylidene-1H-quinoline-3-carboxylate
MOLECULAR FORMULA: C25H31N3O6
MOLECULAR WEIGHT: 469.53014
SMILES: CCOC(=O)C1=CNC2=C(C1=O)C=C(C=C2)C3(CCC(=O)NC3=O)CCC(=O)NCCC(C)C
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