N-(4-chlorophenyl)-N-methyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)isoquinoline-4-carboxamide

Systemtic Name: N-(4-chlorophenyl)-N-methyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)isoquinoline-4-carboxamide Openeye Name: N-(4-chlorophenyl)-N-methyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)isoquinoline-4-carboxamide CAS Name: N-(4-chlorophenyl)-N-methyl-1-[4-(2-pyrimidinyl)-1-piperazinyl]-4-isoquinolinecarboxamide IUPAC Name: N-(4-chlorophenyl)-N-methyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)isoquinoline-4-carboxamide Traditional Name: N-(4-chlorophenyl)-N-methyl-1-[4-(2-pyrimidyl)piperazino]isoquinoline-4-carboxamide Formula: C25H23ClN6O MolecularWeight: 458.94272

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=C(C=C1)Cl)C(=O)C2=CN=C(C3=CC=CC=C32)N4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

CN(C1=CC=C(C=C1)Cl)C(=O)C2=CN=C(C3=CC=CC=C32)N4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C25H23ClN6O/c1-30(19-9-7-18(26)8-10-19)24(33)22-17-29-23(21-6-3-2-5-20(21)22)31-13-15-32(16-14-31)25-27-11-4-12-28-25/h2-12,17H,13-16H2,1H3