(phenylmethyl) 4-[(4-chloranylquinolin-7-yl)methyl]-2-methyl-3-oxidanylidene-piperazine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[(4-chloranylquinolin-7-yl)methyl]-2-methyl-3-oxidanylidene-piperazine-1-carboxylate Openeye Name: benzyl 4-[(4-chloro-7-quinolyl)methyl]-2-methyl-3-oxo-piperazine-1-carboxylate CAS Name: 4-[(4-chloro-7-quinolinyl)methyl]-2-methyl-3-oxo-1-piperazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[(4-chloroquinolin-7-yl)methyl]-2-methyl-3-oxopiperazine-1-carboxylate Traditional Name: 4-[(4-chloro-7-quinolyl)methyl]-3-keto-2-methyl-piperazine-1-carboxylic acid benzyl ester Formula: C23H22ClN3O3 MolecularWeight: 423.89208

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(CCN1C(=O)OCC2=CC=CC=C2)CC3=CC4=NC=CC(=C4C=C3)Cl

Isomeric SMILES

CC1C(=O)N(CCN1C(=O)OCC2=CC=CC=C2)CC3=CC4=NC=CC(=C4C=C3)Cl

InChI

InChI=1S/C23H22ClN3O3/c1-16-22(28)26(14-18-7-8-19-20(24)9-10-25-21(19)13-18)11-12-27(16)23(29)30-15-17-5-3-2-4-6-17/h2-10,13,16H,11-12,14-15H2,1H3