N-(3-chlorophenyl)-N-ethyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)isoquinoline-4-carboxamide

Systemtic Name: N-(3-chlorophenyl)-N-ethyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)isoquinoline-4-carboxamide Openeye Name: N-(3-chlorophenyl)-N-ethyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)isoquinoline-4-carboxamide CAS Name: N-(3-chlorophenyl)-N-ethyl-1-[4-(2-pyrimidinyl)-1-piperazinyl]-4-isoquinolinecarboxamide IUPAC Name: N-(3-chlorophenyl)-N-ethyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)isoquinoline-4-carboxamide Traditional Name: N-(3-chlorophenyl)-N-ethyl-1-[4-(2-pyrimidyl)piperazino]isoquinoline-4-carboxamide Formula: C26H25ClN6O MolecularWeight: 472.9693

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H25ClN6O/c1-2-33(20-8-5-7-19(27)17-20)25(34)23-18-30-24(22-10-4-3-9-21(22)23)31-13-15-32(16-14-31)26-28-11-6-12-29-26/h3-12,17-18H,2,13-16H2,1H3