methyl 1-[4-(3-chlorophenyl)piperazin-1-yl]isoquinoline-4-carboxylate

Systemtic Name: methyl 1-[4-(3-chlorophenyl)piperazin-1-yl]isoquinoline-4-carboxylate Openeye Name: methyl 1-[4-(3-chlorophenyl)piperazin-1-yl]isoquinoline-4-carboxylate CAS Name: 1-[4-(3-chlorophenyl)-1-piperazinyl]-4-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 1-[4-(3-chlorophenyl)piperazin-1-yl]isoquinoline-4-carboxylate Traditional Name: 1-[4-(3-chlorophenyl)piperazino]isoquinoline-4-carboxylic acid methyl ester Formula: C21H20ClN3O2 MolecularWeight: 381.8554

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN=C(C2=CC=CC=C21)N3CCN(CC3)C4=CC(=CC=C4)Cl

Isomeric SMILES

COC(=O)C1=CN=C(C2=CC=CC=C21)N3CCN(CC3)C4=CC(=CC=C4)Cl

InChI

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