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

Systemtic Name: N-(2-azanylcyclohexyl)-2-(4-fluorophenyl)-4-oxidanylidene-1-(2-phenoxypropanoyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Openeye Name: N-(2-aminocyclohexyl)-2-(4-fluorophenyl)-4-oxo-1-(2-phenoxypropanoyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide CAS Name: N-(2-aminocyclohexyl)-2-(4-fluorophenyl)-4-oxo-1-(1-oxo-2-phenoxypropyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide IUPAC Name: N-(2-aminocyclohexyl)-2-(4-fluorophenyl)-4-oxo-1-(2-phenoxypropanoyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Traditional Name: N-(2-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)NC3CCCCC3N)C4=CC=C(C=C4)F)OC5=CC=CC=C5

Isomeric SMILES

CC(C(=O)N1C(CC(=O)NC2=C1C=CC(=C2)C(=O)NC3CCCCC3N)C4=CC=C(C=C4)F)OC5=CC=CC=C5

InChI

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