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

Systemtic Name: N-(4-azanylcyclohexyl)-2-(4-fluorophenyl)-1-(3-methoxyphenyl)carbonyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Openeye Name: N-(4-aminocyclohexyl)-2-(4-fluorophenyl)-1-(3-methoxybenzoyl)-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide CAS Name: N-(4-aminocyclohexyl)-2-(4-fluorophenyl)-1-[(3-methoxyphenyl)-oxomethyl]-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide IUPAC Name: N-(4-aminocyclohexyl)-2-(4-fluorophenyl)-1-(3-methoxybenzoyl)-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Traditional Name: N-(4-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)NC4CCC(CC4)N)C5=CC=C(C=C5)F

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)N2C(CC(=O)NC3=C2C=CC(=C3)C(=O)NC4CCC(CC4)N)C5=CC=C(C=C5)F

InChI

InChI=1S/C30H31FN4O4/c1-39-24-4-2-3-20(15-24)30(38)35-26-14-7-19(29(37)33-23-12-10-22(32)11-13-23)16-25(26)34-28(36)17-27(35)18-5-8-21(31)9-6-18/h2-9,14-16,22-23,27H,10-13,17,32H2,1H3,(H,33,37)(H,34,36)