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

Systemtic Name: (phenylmethyl) N-[1-(cyanomethyl)-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl]carbamate Openeye Name: benzyl N-[1-(cyanomethyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]carbamate CAS Name: N-[1-(cyanomethyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[1-(cyanomethyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]carbamate Traditional Name: N-[1-(cyanomethyl)-2-keto-5-phenyl-3H-1,4-benzodiazepin-3-yl]carbamic acid benzyl ester Formula: C25H20N4O3 MolecularWeight: 424.4513

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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

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC2C(=O)N(C3=CC=CC=C3C(=N2)C4=CC=CC=C4)CC#N

InChI

InChI=1S/C25H20N4O3/c26-15-16-29-21-14-8-7-13-20(21)22(19-11-5-2-6-12-19)27-23(24(29)30)28-25(31)32-17-18-9-3-1-4-10-18/h1-14,23H,16-17H2,(H,28,31)