tert-butyl 2-(2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-1-yl)ethanoate

Systemtic Name: tert-butyl 2-(2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-1-yl)ethanoate Openeye Name: tert-butyl 2-(2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetate CAS Name: 2-(2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-(2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetate Traditional Name: 2-(2-keto-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetic acid tert-butyl ester Formula: C21H22N2O3 MolecularWeight: 350.41098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1C(=O)CN=C(C2=CC=CC=C21)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)CN1C(=O)CN=C(C2=CC=CC=C21)C3=CC=CC=C3

InChI

InChI=1S/C21H22N2O3/c1-21(2,3)26-19(25)14-23-17-12-8-7-11-16(17)20(22-13-18(23)24)15-9-5-4-6-10-15/h4-12H,13-14H2,1-3H3