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

Systemtic Name: N-(4-azanylcyclohexyl)-2-(4-fluorophenyl)-4-oxidanylidene-1-(3-phenylpropanoyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Openeye Name: N-(4-aminocyclohexyl)-2-(4-fluorophenyl)-4-oxo-1-(3-phenylpropanoyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide CAS Name: N-(4-aminocyclohexyl)-2-(4-fluorophenyl)-4-oxo-1-(1-oxo-3-phenylpropyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide IUPAC Name: N-(4-aminocyclohexyl)-2-(4-fluorophenyl)-4-oxo-1-(3-phenylpropanoyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Traditional Name: N-(4-aminocyclohexyl)-2-(4-fluorophenyl)-1-hydrocinnamoyl-4-keto-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Formula: C31H33FN4O3 MolecularWeight: 528.617123

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1N)NC(=O)C2=CC3=C(C=C2)N(C(CC(=O)N3)C4=CC=C(C=C4)F)C(=O)CCC5=CC=CC=C5

Isomeric SMILES

C1CC(CCC1N)NC(=O)C2=CC3=C(C=C2)N(C(CC(=O)N3)C4=CC=C(C=C4)F)C(=O)CCC5=CC=CC=C5

InChI

InChI=1S/C31H33FN4O3/c32-23-10-7-21(8-11-23)28-19-29(37)35-26-18-22(31(39)34-25-14-12-24(33)13-15-25)9-16-27(26)36(28)30(38)17-6-20-4-2-1-3-5-20/h1-5,7-11,16,18,24-25,28H,6,12-15,17,19,33H2,(H,34,39)(H,35,37)