3-(2-methylpropyl)-4-oxidanylidene-1-(phenylmethyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide

Systemtic Name: 3-(2-methylpropyl)-4-oxidanylidene-1-(phenylmethyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Openeye Name: 1-benzyl-3-isobutyl-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide CAS Name: 3-(2-methylpropyl)-4-oxo-1-(phenylmethyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide IUPAC Name: 1-benzyl-3-(2-methylpropyl)-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Traditional Name: 1-benzyl-3-isobutyl-4-keto-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Formula: C21H25N3O2 MolecularWeight: 351.4421

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1CN(C2=C(C=C(C=C2)C(=O)N)NC1=O)CC3=CC=CC=C3

Isomeric SMILES

CC(C)CC1CN(C2=C(C=C(C=C2)C(=O)N)NC1=O)CC3=CC=CC=C3

InChI

InChI=1S/C21H25N3O2/c1-14(2)10-17-13-24(12-15-6-4-3-5-7-15)19-9-8-16(20(22)25)11-18(19)23-21(17)26/h3-9,11,14,17H,10,12-13H2,1-2H3,(H2,22,25)(H,23,26)