N-(2-azanylcyclohexyl)-2-(4-fluorophenyl)-1-(3-methoxyphenyl)carbonyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide

Systemtic Name: N-(2-azanylcyclohexyl)-2-(4-fluorophenyl)-1-(3-methoxyphenyl)carbonyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Openeye Name: N-(2-aminocyclohexyl)-2-(4-fluorophenyl)-1-(3-methoxybenzoyl)-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide CAS Name: N-(2-aminocyclohexyl)-2-(4-fluorophenyl)-1-[(3-methoxyphenyl)-oxomethyl]-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide IUPAC Name: N-(2-aminocyclohexyl)-2-(4-fluorophenyl)-1-(3-methoxybenzoyl)-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Traditional Name: N-(2-aminocyclohexyl)-2-(4-fluorophenyl)-4-keto-1-m-anisoyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Formula: C30H31FN4O4 MolecularWeight: 530.589943

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)N2C(CC(=O)NC3=C2C=CC(=C3)C(=O)NC4CCCCC4N)C5=CC=C(C=C5)F

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)N2C(CC(=O)NC3=C2C=CC(=C3)C(=O)NC4CCCCC4N)C5=CC=C(C=C5)F

InChI

InChI=1S/C30H31FN4O4/c1-39-22-6-4-5-20(15-22)30(38)35-26-14-11-19(29(37)34-24-8-3-2-7-23(24)32)16-25(26)33-28(36)17-27(35)18-9-12-21(31)13-10-18/h4-6,9-16,23-24,27H,2-3,7-8,17,32H2,1H3,(H,33,36)(H,34,37)