(phenylmethyl) 4-[5-(2-fluorophenyl)-2-oxidanylidene-3H-1,4-benzodiazepin-1-yl]piperidine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[5-(2-fluorophenyl)-2-oxidanylidene-3H-1,4-benzodiazepin-1-yl]piperidine-1-carboxylate Openeye Name: benzyl 4-[5-(2-fluorophenyl)-2-oxo-3H-1,4-benzodiazepin-1-yl]piperidine-1-carboxylate CAS Name: 4-[5-(2-fluorophenyl)-2-oxo-3H-1,4-benzodiazepin-1-yl]-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[5-(2-fluorophenyl)-2-oxo-3H-1,4-benzodiazepin-1-yl]piperidine-1-carboxylate Traditional Name: 4-[5-(2-fluorophenyl)-2-keto-3H-1,4-benzodiazepin-1-yl]piperidine-1-carboxylic acid benzyl ester Formula: C28H26FN3O3 MolecularWeight: 471.522743

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2C(=O)CN=C(C3=CC=CC=C32)C4=CC=CC=C4F)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1N2C(=O)CN=C(C3=CC=CC=C32)C4=CC=CC=C4F)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C28H26FN3O3/c29-24-12-6-4-10-22(24)27-23-11-5-7-13-25(23)32(26(33)18-30-27)21-14-16-31(17-15-21)28(34)35-19-20-8-2-1-3-9-20/h1-13,21H,14-19H2