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

Systemtic Name: N-(3-azanyl-2,2-dimethyl-propyl)-2-cyclohexyl-4-oxidanylidene-1-(2-phenoxypropanoyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Openeye Name: N-(3-amino-2,2-dimethyl-propyl)-2-cyclohexyl-4-oxo-1-(2-phenoxypropanoyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide CAS Name: N-(3-amino-2,2-dimethylpropyl)-2-cyclohexyl-4-oxo-1-(1-oxo-2-phenoxypropyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide IUPAC Name: N-(3-amino-2,2-dimethylpropyl)-2-cyclohexyl-4-oxo-1-(2-phenoxypropanoyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Traditional Name: N-(3-amino-2,2-dimethyl-propyl)-2-cyclohexyl-4-keto-1-(2-phenoxypropanoyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Formula: C30H40N4O4 MolecularWeight: 520.663

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1C(CC(=O)NC2=C1C=CC(=C2)C(=O)NCC(C)(C)CN)C3CCCCC3)OC4=CC=CC=C4

Isomeric SMILES

CC(C(=O)N1C(CC(=O)NC2=C1C=CC(=C2)C(=O)NCC(C)(C)CN)C3CCCCC3)OC4=CC=CC=C4

InChI

InChI=1S/C30H40N4O4/c1-20(38-23-12-8-5-9-13-23)29(37)34-25-15-14-22(28(36)32-19-30(2,3)18-31)16-24(25)33-27(35)17-26(34)21-10-6-4-7-11-21/h5,8-9,12-16,20-21,26H,4,6-7,10-11,17-19,31H2,1-3H3,(H,32,36)(H,33,35)