(phenylmethyl) 2-[3-[(4-chlorophenyl)carbamoylamino]-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-1-yl]ethanoate

Systemtic Name: (phenylmethyl) 2-[3-[(4-chlorophenyl)carbamoylamino]-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-1-yl]ethanoate Openeye Name: benzyl 2-[3-[(4-chlorophenyl)carbamoylamino]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]acetate CAS Name: 2-[3-[[(4-chloroanilino)-oxomethyl]amino]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[3-[(4-chlorophenyl)carbamoylamino]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]acetate Traditional Name: 2-[3-[(4-chlorophenyl)carbamoylamino]-2-keto-5-phenyl-3H-1,4-benzodiazepin-1-yl]acetic acid benzyl ester Formula: C31H25ClN4O4 MolecularWeight: 553.0076

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CN2C3=CC=CC=C3C(=NC(C2=O)NC(=O)NC4=CC=C(C=C4)Cl)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CN2C3=CC=CC=C3C(=NC(C2=O)NC(=O)NC4=CC=C(C=C4)Cl)C5=CC=CC=C5

InChI

InChI=1S/C31H25ClN4O4/c32-23-15-17-24(18-16-23)33-31(39)35-29-30(38)36(19-27(37)40-20-21-9-3-1-4-10-21)26-14-8-7-13-25(26)28(34-29)22-11-5-2-6-12-22/h1-18,29H,19-20H2,(H2,33,35,39)