(phenylmethyl) 1-(2-chloranyl-2-oxidanylidene-ethyl)-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepine-3-carboxylate

Systemtic Name: (phenylmethyl) 1-(2-chloranyl-2-oxidanylidene-ethyl)-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepine-3-carboxylate Openeye Name: benzyl 1-(2-chloro-2-oxo-ethyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepine-3-carboxylate CAS Name: 1-(2-chloro-2-oxoethyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepine-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 1-(2-chloro-2-oxoethyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepine-3-carboxylate Traditional Name: 1-(2-chloro-2-keto-ethyl)-2-keto-5-phenyl-3H-1,4-benzodiazepine-3-carboxylic acid benzyl ester Formula: C25H19ClN2O4 MolecularWeight: 446.88236

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C2C(=O)N(C3=CC=CC=C3C(=N2)C4=CC=CC=C4)CC(=O)Cl

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C2C(=O)N(C3=CC=CC=C3C(=N2)C4=CC=CC=C4)CC(=O)Cl

InChI

InChI=1S/C25H19ClN2O4/c26-21(29)15-28-20-14-8-7-13-19(20)22(18-11-5-2-6-12-18)27-23(24(28)30)25(31)32-16-17-9-3-1-4-10-17/h1-14,23H,15-16H2