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

Systemtic Name: N-(2-azanylcyclohexyl)-2-cyclohexyl-4-oxidanylidene-1-(2-phenoxypropanoyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Openeye Name: N-(2-aminocyclohexyl)-2-cyclohexyl-4-oxo-1-(2-phenoxypropanoyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide CAS Name: N-(2-aminocyclohexyl)-2-cyclohexyl-4-oxo-1-(1-oxo-2-phenoxypropyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide IUPAC Name: N-(2-aminocyclohexyl)-2-cyclohexyl-4-oxo-1-(2-phenoxypropanoyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Traditional Name: N-(2-aminocyclohexyl)-2-cyclohexyl-4-keto-1-(2-phenoxypropanoyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Formula: C31H40N4O4 MolecularWeight: 532.6737

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1C(CC(=O)NC2=C1C=CC(=C2)C(=O)NC3CCCCC3N)C4CCCCC4)OC5=CC=CC=C5

Isomeric SMILES

CC(C(=O)N1C(CC(=O)NC2=C1C=CC(=C2)C(=O)NC3CCCCC3N)C4CCCCC4)OC5=CC=CC=C5

InChI

InChI=1S/C31H40N4O4/c1-20(39-23-12-6-3-7-13-23)31(38)35-27-17-16-22(30(37)34-25-15-9-8-14-24(25)32)18-26(27)33-29(36)19-28(35)21-10-4-2-5-11-21/h3,6-7,12-13,16-18,20-21,24-25,28H,2,4-5,8-11,14-15,19,32H2,1H3,(H,33,36)(H,34,37)