2-(4-chlorophenyl)-4-(4-phenylpiperazin-1-yl)carbonyl-isoquinolin-1-one

Systemtic Name: 2-(4-chlorophenyl)-4-(4-phenylpiperazin-1-yl)carbonyl-isoquinolin-1-one Openeye Name: 2-(4-chlorophenyl)-4-(4-phenylpiperazine-1-carbonyl)isoquinolin-1-one CAS Name: 2-(4-chlorophenyl)-4-[oxo-(4-phenyl-1-piperazinyl)methyl]-1-isoquinolinone IUPAC Name: 2-(4-chlorophenyl)-4-(4-phenylpiperazine-1-carbonyl)isoquinolin-1-one Traditional Name: 2-(4-chlorophenyl)-4-(4-phenylpiperazine-1-carbonyl)isocarbostyril Formula: C26H22ClN3O2 MolecularWeight: 443.92478

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CN(C(=O)C4=CC=CC=C43)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CN(C(=O)C4=CC=CC=C43)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C26H22ClN3O2/c27-19-10-12-21(13-11-19)30-18-24(22-8-4-5-9-23(22)26(30)32)25(31)29-16-14-28(15-17-29)20-6-2-1-3-7-20/h1-13,18H,14-17H2