2-(4-chlorophenyl)-4-[4-(phenylmethyl)piperazin-1-yl]carbonyl-isoquinolin-1-one

Systemtic Name: 2-(4-chlorophenyl)-4-[4-(phenylmethyl)piperazin-1-yl]carbonyl-isoquinolin-1-one Openeye Name: 4-(4-benzylpiperazine-1-carbonyl)-2-(4-chlorophenyl)isoquinolin-1-one CAS Name: 2-(4-chlorophenyl)-4-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]-1-isoquinolinone IUPAC Name: 4-(4-benzylpiperazine-1-carbonyl)-2-(4-chlorophenyl)isoquinolin-1-one Traditional Name: 4-(4-benzylpiperazine-1-carbonyl)-2-(4-chlorophenyl)isocarbostyril Formula: C27H24ClN3O2 MolecularWeight: 457.95136

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=CN(C(=O)C4=CC=CC=C43)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=CN(C(=O)C4=CC=CC=C43)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C27H24ClN3O2/c28-21-10-12-22(13-11-21)31-19-25(23-8-4-5-9-24(23)27(31)33)26(32)30-16-14-29(15-17-30)18-20-6-2-1-3-7-20/h1-13,19H,14-18H2