(phenylmethyl) N-[1-(2-azanylidene-2-azido-ethyl)-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl]carbamate

Systemtic Name: (phenylmethyl) N-[1-(2-azanylidene-2-azido-ethyl)-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl]carbamate Openeye Name: benzyl N-[1-(2-azido-2-imino-ethyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]carbamate CAS Name: N-[1-(2-azido-2-iminoethyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[1-(2-azido-2-iminoethyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]carbamate Traditional Name: N-[1-(2-azido-2-imino-ethyl)-2-keto-5-phenyl-3H-1,4-benzodiazepin-3-yl]carbamic acid benzyl ester Formula: C25H21N7O3 MolecularWeight: 467.47934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC2C(=O)N(C3=CC=CC=C3C(=N2)C4=CC=CC=C4)CC(=N)N=[N+]=[N-]

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC2C(=O)N(C3=CC=CC=C3C(=N2)C4=CC=CC=C4)CC(=N)N=[N+]=[N-]

InChI

InChI=1S/C25H21N7O3/c26-21(30-31-27)15-32-20-14-8-7-13-19(20)22(18-11-5-2-6-12-18)28-23(24(32)33)29-25(34)35-16-17-9-3-1-4-10-17/h1-14,23,26H,15-16H2,(H,29,34)