(phenylmethyl) 4-[7-chloranyl-5-(2-fluorophenyl)-2-oxidanylidene-3H-1,4-benzodiazepin-1-yl]piperidine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[7-chloranyl-5-(2-fluorophenyl)-2-oxidanylidene-3H-1,4-benzodiazepin-1-yl]piperidine-1-carboxylate Openeye Name: benzyl 4-[7-chloro-5-(2-fluorophenyl)-2-oxo-3H-1,4-benzodiazepin-1-yl]piperidine-1-carboxylate CAS Name: 4-[7-chloro-5-(2-fluorophenyl)-2-oxo-3H-1,4-benzodiazepin-1-yl]-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[7-chloro-5-(2-fluorophenyl)-2-oxo-3H-1,4-benzodiazepin-1-yl]piperidine-1-carboxylate Traditional Name: 4-[7-chloro-5-(2-fluorophenyl)-2-keto-3H-1,4-benzodiazepin-1-yl]piperidine-1-carboxylic acid benzyl ester Formula: C28H25ClFN3O3 MolecularWeight: 505.967803

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2C(=O)CN=C(C3=C2C=CC(=C3)Cl)C4=CC=CC=C4F)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1N2C(=O)CN=C(C3=C2C=CC(=C3)Cl)C4=CC=CC=C4F)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C28H25ClFN3O3/c29-20-10-11-25-23(16-20)27(22-8-4-5-9-24(22)30)31-17-26(34)33(25)21-12-14-32(15-13-21)28(35)36-18-19-6-2-1-3-7-19/h1-11,16,21H,12-15,17-18H2