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

Systemtic Name: (phenylmethyl) N-[1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl]carbamate Openeye Name: benzyl N-[1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]carbamate CAS Name: N-[1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]carbamate Traditional Name: N-[2-keto-1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-5-phenyl-3H-1,4-benzodiazepin-3-yl]carbamic acid benzyl ester Formula: C27H24N6O3 MolecularWeight: 480.51786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1)CN2C3=CC=CC=C3C(=NC(C2=O)NC(=O)OCC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=NC(=NN1)CN2C3=CC=CC=C3C(=NC(C2=O)NC(=O)OCC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H24N6O3/c1-18-28-23(32-31-18)16-33-22-15-9-8-14-21(22)24(20-12-6-3-7-13-20)29-25(26(33)34)30-27(35)36-17-19-10-4-2-5-11-19/h2-15,25H,16-17H2,1H3,(H,30,35)(H,28,31,32)