2-(4-chlorophenyl)-4-[4-(3-chlorophenyl)piperazin-1-yl]carbonyl-isoquinolin-1-one

Systemtic Name: 2-(4-chlorophenyl)-4-[4-(3-chlorophenyl)piperazin-1-yl]carbonyl-isoquinolin-1-one Openeye Name: 2-(4-chlorophenyl)-4-[4-(3-chlorophenyl)piperazine-1-carbonyl]isoquinolin-1-one CAS Name: 2-(4-chlorophenyl)-4-[[4-(3-chlorophenyl)-1-piperazinyl]-oxomethyl]-1-isoquinolinone IUPAC Name: 2-(4-chlorophenyl)-4-[4-(3-chlorophenyl)piperazine-1-carbonyl]isoquinolin-1-one Traditional Name: 2-(4-chlorophenyl)-4-[4-(3-chlorophenyl)piperazine-1-carbonyl]isocarbostyril Formula: C26H21Cl2N3O2 MolecularWeight: 478.36984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H21Cl2N3O2/c27-18-8-10-20(11-9-18)31-17-24(22-6-1-2-7-23(22)26(31)33)25(32)30-14-12-29(13-15-30)21-5-3-4-19(28)16-21/h1-11,16-17H,12-15H2