(phenylmethyl) 4-[(4-chloranylquinolin-7-yl)methyl]-3-oxidanylidene-piperazine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[(4-chloranylquinolin-7-yl)methyl]-3-oxidanylidene-piperazine-1-carboxylate Openeye Name: benzyl 4-[(4-chloro-7-quinolyl)methyl]-3-oxo-piperazine-1-carboxylate CAS Name: 4-[(4-chloro-7-quinolinyl)methyl]-3-oxo-1-piperazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[(4-chloroquinolin-7-yl)methyl]-3-oxopiperazine-1-carboxylate Traditional Name: 4-[(4-chloro-7-quinolyl)methyl]-3-keto-piperazine-1-carboxylic acid benzyl ester Formula: C22H20ClN3O3 MolecularWeight: 409.8655

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)CN1C(=O)OCC2=CC=CC=C2)CC3=CC4=NC=CC(=C4C=C3)Cl

Isomeric SMILES

C1CN(C(=O)CN1C(=O)OCC2=CC=CC=C2)CC3=CC4=NC=CC(=C4C=C3)Cl

InChI

InChI=1S/C22H20ClN3O3/c23-19-8-9-24-20-12-17(6-7-18(19)20)13-25-10-11-26(14-21(25)27)22(28)29-15-16-4-2-1-3-5-16/h1-9,12H,10-11,13-15H2