phenyl N-[1-(3-methyl-2-oxidanylidene-butyl)-5-phenyl-3,4-dihydro-2H-1,5-benzodiazepin-3-yl]carbamate

Systemtic Name: phenyl N-[1-(3-methyl-2-oxidanylidene-butyl)-5-phenyl-3,4-dihydro-2H-1,5-benzodiazepin-3-yl]carbamate Openeye Name: phenyl N-[1-(3-methyl-2-oxo-butyl)-5-phenyl-3,4-dihydro-2H-1,5-benzodiazepin-3-yl]carbamate CAS Name: N-[1-(3-methyl-2-oxobutyl)-5-phenyl-3,4-dihydro-2H-1,5-benzodiazepin-3-yl]carbamic acid phenyl ester IUPAC Name: phenyl N-[1-(3-methyl-2-oxobutyl)-5-phenyl-3,4-dihydro-2H-1,5-benzodiazepin-3-yl]carbamate Traditional Name: N-[1-(2-keto-3-methyl-butyl)-5-phenyl-3,4-dihydro-2H-1,5-benzodiazepin-3-yl]carbamic acid phenyl ester Formula: C27H29N3O3 MolecularWeight: 443.53746

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)CN1CC(CN(C2=CC=CC=C21)C3=CC=CC=C3)NC(=O)OC4=CC=CC=C4

Isomeric SMILES

CC(C)C(=O)CN1CC(CN(C2=CC=CC=C21)C3=CC=CC=C3)NC(=O)OC4=CC=CC=C4

InChI

InChI=1S/C27H29N3O3/c1-20(2)26(31)19-29-17-21(28-27(32)33-23-13-7-4-8-14-23)18-30(22-11-5-3-6-12-22)25-16-10-9-15-24(25)29/h3-16,20-21H,17-19H2,1-2H3,(H,28,32)