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

Systemtic Name: N-(4-azanylcyclohexyl)-2-(4-fluorophenyl)-4-oxidanylidene-1-(2-phenoxypropanoyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Openeye Name: N-(4-aminocyclohexyl)-2-(4-fluorophenyl)-4-oxo-1-(2-phenoxypropanoyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide CAS Name: N-(4-aminocyclohexyl)-2-(4-fluorophenyl)-4-oxo-1-(1-oxo-2-phenoxypropyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide IUPAC Name: N-(4-aminocyclohexyl)-2-(4-fluorophenyl)-4-oxo-1-(2-phenoxypropanoyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Traditional Name: N-(4-aminocyclohexyl)-2-(4-fluorophenyl)-4-keto-1-(2-phenoxypropanoyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Formula: C31H33FN4O4 MolecularWeight: 544.616523

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1C(CC(=O)NC2=C1C=CC(=C2)C(=O)NC3CCC(CC3)N)C4=CC=C(C=C4)F)OC5=CC=CC=C5

Isomeric SMILES

CC(C(=O)N1C(CC(=O)NC2=C1C=CC(=C2)C(=O)NC3CCC(CC3)N)C4=CC=C(C=C4)F)OC5=CC=CC=C5

InChI

InChI=1S/C31H33FN4O4/c1-19(40-25-5-3-2-4-6-25)31(39)36-27-16-9-21(30(38)34-24-14-12-23(33)13-15-24)17-26(27)35-29(37)18-28(36)20-7-10-22(32)11-8-20/h2-11,16-17,19,23-24,28H,12-15,18,33H2,1H3,(H,34,38)(H,35,37)