[4-(1-chloranylisoquinolin-3-yl)piperazin-1-yl]-(3-methoxyphenyl)methanone

Systemtic Name: [4-(1-chloranylisoquinolin-3-yl)piperazin-1-yl]-(3-methoxyphenyl)methanone Openeye Name: [4-(1-chloro-3-isoquinolyl)piperazin-1-yl]-(3-methoxyphenyl)methanone CAS Name: [4-(1-chloro-3-isoquinolinyl)-1-piperazinyl]-(3-methoxyphenyl)methanone IUPAC Name: [4-(1-chloroisoquinolin-3-yl)piperazin-1-yl]-(3-methoxyphenyl)methanone Traditional Name: [4-(1-chloro-3-isoquinolyl)piperazino]-(3-methoxyphenyl)methanone Formula: C21H20ClN3O2 MolecularWeight: 381.8554

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=CC4=CC=CC=C4C(=N3)Cl

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=CC4=CC=CC=C4C(=N3)Cl

InChI

InChI=1S/C21H20ClN3O2/c1-27-17-7-4-6-16(13-17)21(26)25-11-9-24(10-12-25)19-14-15-5-2-3-8-18(15)20(22)23-19/h2-8,13-14H,9-12H2,1H3