[4-(3-chlorophenyl)piperazin-1-yl]-[1-(4-pyridin-2-ylpiperazin-1-yl)isoquinolin-4-yl]methanone

Systemtic Name: [4-(3-chlorophenyl)piperazin-1-yl]-[1-(4-pyridin-2-ylpiperazin-1-yl)isoquinolin-4-yl]methanone Openeye Name: [4-(3-chlorophenyl)piperazin-1-yl]-[1-[4-(2-pyridyl)piperazin-1-yl]-4-isoquinolyl]methanone CAS Name: [4-(3-chlorophenyl)-1-piperazinyl]-[1-[4-(2-pyridinyl)-1-piperazinyl]-4-isoquinolinyl]methanone IUPAC Name: [4-(3-chlorophenyl)piperazin-1-yl]-[1-(4-pyridin-2-ylpiperazin-1-yl)isoquinolin-4-yl]methanone Traditional Name: [4-(3-chlorophenyl)piperazino]-[1-[4-(2-pyridyl)piperazino]-4-isoquinolyl]methanone Formula: C29H29ClN6O MolecularWeight: 513.03316

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)C3=CN=C(C4=CC=CC=C43)N5CCN(CC5)C6=CC=CC=N6

Isomeric SMILES

C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)C3=CN=C(C4=CC=CC=C43)N5CCN(CC5)C6=CC=CC=N6

InChI

InChI=1S/C29H29ClN6O/c30-22-6-5-7-23(20-22)33-12-18-36(19-13-33)29(37)26-21-32-28(25-9-2-1-8-24(25)26)35-16-14-34(15-17-35)27-10-3-4-11-31-27/h1-11,20-21H,12-19H2