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

Systemtic Name: N-(4-azanylcyclohexyl)-1-(3-cyclopentylpropanoyl)-2-(4-fluorophenyl)-4-oxidanylidene-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Openeye Name: N-(4-aminocyclohexyl)-1-(3-cyclopentylpropanoyl)-2-(4-fluorophenyl)-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide CAS Name: N-(4-aminocyclohexyl)-1-(3-cyclopentyl-1-oxopropyl)-2-(4-fluorophenyl)-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide IUPAC Name: N-(4-aminocyclohexyl)-1-(3-cyclopentylpropanoyl)-2-(4-fluorophenyl)-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Traditional Name: N-(4-aminocyclohexyl)-1-(3-cyclopentylpropanoyl)-2-(4-fluorophenyl)-4-keto-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Formula: C30H37FN4O3 MolecularWeight: 520.638183

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)CCC(=O)N2C(CC(=O)NC3=C2C=CC(=C3)C(=O)NC4CCC(CC4)N)C5=CC=C(C=C5)F

Isomeric SMILES

C1CCC(C1)CCC(=O)N2C(CC(=O)NC3=C2C=CC(=C3)C(=O)NC4CCC(CC4)N)C5=CC=C(C=C5)F

InChI

InChI=1S/C30H37FN4O3/c31-22-9-6-20(7-10-22)27-18-28(36)34-25-17-21(30(38)33-24-13-11-23(32)12-14-24)8-15-26(25)35(27)29(37)16-5-19-3-1-2-4-19/h6-10,15,17,19,23-24,27H,1-5,11-14,16,18,32H2,(H,33,38)(H,34,36)