tert-butyl N-(7-methyl-4-oxidanylidene-1-phenyl-3,5-dihydro-2H-1,5-benzodiazepin-3-yl)carbamate

Systemtic Name: tert-butyl N-(7-methyl-4-oxidanylidene-1-phenyl-3,5-dihydro-2H-1,5-benzodiazepin-3-yl)carbamate Openeye Name: tert-butyl N-(7-methyl-4-oxo-1-phenyl-3,5-dihydro-2H-1,5-benzodiazepin-3-yl)carbamate CAS Name: N-(7-methyl-4-oxo-1-phenyl-3,5-dihydro-2H-1,5-benzodiazepin-3-yl)carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-(7-methyl-4-oxo-1-phenyl-3,5-dihydro-2H-1,5-benzodiazepin-3-yl)carbamate Traditional Name: N-(4-keto-7-methyl-1-phenyl-3,5-dihydro-2H-1,5-benzodiazepin-3-yl)carbamic acid tert-butyl ester Formula: C21H25N3O3 MolecularWeight: 367.4415

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(CC(C(=O)N2)NC(=O)OC(C)(C)C)C3=CC=CC=C3

Isomeric SMILES

CC1=CC2=C(C=C1)N(CC(C(=O)N2)NC(=O)OC(C)(C)C)C3=CC=CC=C3

InChI

InChI=1S/C21H25N3O3/c1-14-10-11-18-16(12-14)22-19(25)17(23-20(26)27-21(2,3)4)13-24(18)15-8-6-5-7-9-15/h5-12,17H,13H2,1-4H3,(H,22,25)(H,23,26)