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

Systemtic Name: N-(4-azanylcyclohexyl)-2-(4-fluorophenyl)-1-(3-methylphenyl)carbonyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Openeye Name: N-(4-aminocyclohexyl)-2-(4-fluorophenyl)-1-(3-methylbenzoyl)-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide CAS Name: N-(4-aminocyclohexyl)-2-(4-fluorophenyl)-1-[(3-methylphenyl)-oxomethyl]-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide IUPAC Name: N-(4-aminocyclohexyl)-2-(4-fluorophenyl)-1-(3-methylbenzoyl)-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Traditional Name: N-(4-aminocyclohexyl)-2-(4-fluorophenyl)-4-keto-1-m-toluoyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Formula: C30H31FN4O3 MolecularWeight: 514.590543

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Descriptors Computed from Structure

Canonical SMILES:

CC1=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

CC1=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/C30H31FN4O3/c1-18-3-2-4-21(15-18)30(38)35-26-14-7-20(29(37)33-24-12-10-23(32)11-13-24)16-25(26)34-28(36)17-27(35)19-5-8-22(31)9-6-19/h2-9,14-16,23-24,27H,10-13,17,32H2,1H3,(H,33,37)(H,34,36)