(phenylmethyl) 3-[2-(2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-1-yl)ethanoyl]indole-1-carboxylate

Systemtic Name: (phenylmethyl) 3-[2-(2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-1-yl)ethanoyl]indole-1-carboxylate Openeye Name: benzyl 3-[2-(2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetyl]indole-1-carboxylate CAS Name: 3-[1-oxo-2-(2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)ethyl]-1-indolecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[2-(2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetyl]indole-1-carboxylate Traditional Name: 3-[2-(2-keto-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetyl]indole-1-carboxylic acid benzyl ester Formula: C33H25N3O4 MolecularWeight: 527.5693

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C2=CC=CC=C2C(=N1)C3=CC=CC=C3)CC(=O)C4=CN(C5=CC=CC=C54)C(=O)OCC6=CC=CC=C6

Isomeric SMILES

C1C(=O)N(C2=CC=CC=C2C(=N1)C3=CC=CC=C3)CC(=O)C4=CN(C5=CC=CC=C54)C(=O)OCC6=CC=CC=C6

InChI

InChI=1S/C33H25N3O4/c37-30(21-35-29-18-10-8-16-26(29)32(34-19-31(35)38)24-13-5-2-6-14-24)27-20-36(28-17-9-7-15-25(27)28)33(39)40-22-23-11-3-1-4-12-23/h1-18,20H,19,21-22H2