CAS RN: 139501-91-0
CAS Name: (3S)-11-hydroxy-8-methoxy-3-methyl-3,4-dihydro-2H-benzo[a]anthracene-1,7,12-trione
OPENEYE Name: (3S)-11-hydroxy-8-methoxy-3-methyl-3,4-dihydro-2H-benzo[a]anthracene-1,7,12-trione
IUPAC Name: (3S)-11-hydroxy-8-methoxy-3-methyl-3,4-dihydro-2H-benzo[a]anthracene-1,7,12-trione
SYSTEMATIC NAME: (3S)-8-methoxy-3-methyl-11-oxidanyl-3,4-dihydro-2H-benzo[a]anthracene-1,7,12-trione
MOLECULAR FORMULA: C20H16O5
MOLECULAR WEIGHT: 336.33804
SMILES: C[C@H]1CC2=C(C(=O)C1)C3=C(C=C2)C(=O)C4=C(C=CC(=C4C3=O)O)OC
Structure:
CAS RN: 139493-54-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H18O3
MOLECULAR WEIGHT: 306.35512
SMILES: CC1=CC2=C3C=CC4=C(C3=C(C=C2C=C1)C)[C@H]5[C@H](O5)[C@@H]([C@H]4O)O
Structure:
CAS RN: 139485-39-5
CAS Name: (1S)-6-chloro-1-[(2,5-dimethoxy-4-propylphenyl)methyl]-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol
OPENEYE Name: (1S)-6-chloro-1-[(2,5-dimethoxy-4-propyl-phenyl)methyl]-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol
IUPAC Name: (1S)-6-chloro-1-[(2,5-dimethoxy-4-propylphenyl)methyl]-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol
SYSTEMATIC NAME: (1S)-6-chloranyl-1-[(2,5-dimethoxy-4-propyl-phenyl)methyl]-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol
MOLECULAR FORMULA: C22H28ClNO3
MOLECULAR WEIGHT: 389.91562
SMILES: CCCC1=C(C=C(C(=C1)OC)C[C@H]2C3=CC(=C(C=C3CCN2C)Cl)O)OC
Structure:
CAS RN: 139477-46-6
CAS Name: 2-[3-[4-(2-quinolinyl)-1-piperazinyl]propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
OPENEYE Name: 2-[3-[4-(2-quinolyl)piperazin-1-yl]propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
IUPAC Name: 2-[3-(4-quinolin-2-ylpiperazin-1-yl)propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SYSTEMATIC NAME: 2-[3-(4-quinolin-2-ylpiperazin-1-yl)propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
MOLECULAR FORMULA: C22H24N6O
MOLECULAR WEIGHT: 388.46556
SMILES: C1CN(CCN1CCCN2C(=O)N3C=CC=CC3=N2)C4=NC5=CC=CC=C5C=C4
Structure:
CAS RN: 139459-45-3
CAS Name: 6-chloro-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-5-methyl-4-imidazo[1,5-a]quinoxalinone
OPENEYE Name: 6-chloro-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-5-methyl-imidazo[1,5-a]quinoxalin-4-one
IUPAC Name: 6-chloro-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-5-methylimidazo[1,5-a]quinoxalin-4-one
SYSTEMATIC NAME: 6-chloranyl-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-5-methyl-imidazo[1,5-a]quinoxalin-4-one
MOLECULAR FORMULA: C16H12ClN5O2
MOLECULAR WEIGHT: 341.75178
SMILES: CN1C2=C(C=CC=C2Cl)N3C=NC(=C3C1=O)C4=NOC(=N4)C5CC5
Structure:
CAS RN: 139428-49-2
CAS Name: N-[(4-azido-2,3,5,6-tetrafluorophenyl)methyl]-6-(2,5-dioxo-1-pyrrolyl)hexanamide
OPENEYE Name: N-[(4-azido-2,3,5,6-tetrafluoro-phenyl)methyl]-6-(2,5-dioxopyrrol-1-yl)hexanamide
IUPAC Name: N-[(4-azido-2,3,5,6-tetrafluorophenyl)methyl]-6-(2,5-dioxopyrrol-1-yl)hexanamide
SYSTEMATIC NAME: N-[[4-azido-2,3,5,6-tetrakis(fluoranyl)phenyl]methyl]-6-[2,5-bis(oxidanylidene)pyrrol-1-yl]hexanamide
MOLECULAR FORMULA: C17H15F4N5O3
MOLECULAR WEIGHT: 413.326313
SMILES: C1=CC(=O)N(C1=O)CCCCCC(=O)NCC2=C(C(=C(C(=C2F)F)N=[N+]=[N-])F)F
Structure:
CAS RN: 139416-20-9
CAS Name: N-[1-[(2,2-dimethyl-1-oxopropyl)amino]-2-methylpropyl]-2,2-dimethylpropanamide
OPENEYE Name: N-[1-(2,2-dimethylpropanoylamino)-2-methyl-propyl]-2,2-dimethyl-propanamide
IUPAC Name: N-[1-(2,2-dimethylpropanoylamino)-2-methylpropyl]-2,2-dimethylpropanamide
SYSTEMATIC NAME: N-[1-(2,2-dimethylpropanoylamino)-2-methyl-propyl]-2,2-dimethyl-propanamide
MOLECULAR FORMULA: C14H28N2O2
MOLECULAR WEIGHT: 256.38432
SMILES: CC(C)C(NC(=O)C(C)(C)C)NC(=O)C(C)(C)C
Structure:
CAS RN: 139416-19-6
CAS Name: N,N'-dimethyl-N'-propan-2-ylpropanediamide
OPENEYE Name: N'-isopropyl-N,N'-dimethyl-propanediamide
IUPAC Name: N,N'-dimethyl-N'-propan-2-ylpropanediamide
SYSTEMATIC NAME: N,N'-dimethyl-N'-propan-2-yl-propanediamide
MOLECULAR FORMULA: C8H16N2O2
MOLECULAR WEIGHT: 172.22484
SMILES: CC(C)N(C)C(=O)CC(=O)NC
Structure:
CAS RN: 139392-04-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H33N5O
MOLECULAR WEIGHT: 359.50892
SMILES: CC1=NC=C(C(=C1O)CN)CCCN2CC34CN(CC3(C2)CN(C4)C)C
Structure:
CAS RN: 139346-23-9
CAS Name: 5-(1-azabicyclo[2.2.1]heptan-3-yl)-3-cyclopropyl-1,2,4-oxadiazole
OPENEYE Name: 5-(1-azabicyclo[2.2.1]heptan-3-yl)-3-cyclopropyl-1,2,4-oxadiazole
IUPAC Name: 5-(1-azabicyclo[2.2.1]heptan-3-yl)-3-cyclopropyl-1,2,4-oxadiazole
SYSTEMATIC NAME: 5-(1-azabicyclo[2.2.1]heptan-3-yl)-3-cyclopropyl-1,2,4-oxadiazole
MOLECULAR FORMULA: C11H15N3O
MOLECULAR WEIGHT: 205.2563
SMILES: C1CC1C2=NOC(=N2)C3CN4CCC3C4
Structure:
CAS RN: 139332-64-2
CAS Name: N,N-dimethyl-7-(1-piperazinyl)-2,1,3-benzoxadiazole-4-sulfonamide
OPENEYE Name: N,N-dimethyl-7-piperazin-1-yl-2,1,3-benzoxadiazole-4-sulfonamide
IUPAC Name: N,N-dimethyl-7-piperazin-1-yl-2,1,3-benzoxadiazole-4-sulfonamide
SYSTEMATIC NAME: N,N-dimethyl-7-piperazin-1-yl-2,1,3-benzoxadiazole-4-sulfonamide
MOLECULAR FORMULA: C12H17N5O3S
MOLECULAR WEIGHT: 311.36008
SMILES: CN(C)S(=O)(=O)C1=CC=C(C2=NON=C12)N3CCNCC3
Structure:
CAS RN: 139314-01-5
CAS Name: 3,4-dihydro-1H-isoquinoline-2-carboxylic acid [(3aR,8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl] ester
OPENEYE Name: [(3aR,8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl] 3,4-dihydro-1H-isoquinoline-2-carboxylate
IUPAC Name: [(3aR,8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl] 3,4-dihydro-1H-isoquinoline-2-carboxylate
SYSTEMATIC NAME: [(3aR,8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl] 3,4-dihydro-1H-isoquinoline-2-carboxylate
MOLECULAR FORMULA: C23H27N3O2
MOLECULAR WEIGHT: 377.47938
SMILES: C[C@@]12CCN([C@@H]1N(C3=C2C=C(C=C3)OC(=O)N4CCC5=CC=CC=C5C4)C)C
Structure:
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