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

Systemtic Name: N-(4-ethylphenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)isoquinoline-4-carboxamide Openeye Name: N-(4-ethylphenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)isoquinoline-4-carboxamide CAS Name: N-(4-ethylphenyl)-1-[4-(2-pyrimidinyl)-1-piperazinyl]-4-isoquinolinecarboxamide IUPAC Name: N-(4-ethylphenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)isoquinoline-4-carboxamide Traditional Name: N-(4-ethylphenyl)-1-[4-(2-pyrimidyl)piperazino]isoquinoline-4-carboxamide Formula: C26H26N6O MolecularWeight: 438.52424

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C2=CN=C(C3=CC=CC=C32)N4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C2=CN=C(C3=CC=CC=C32)N4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C26H26N6O/c1-2-19-8-10-20(11-9-19)30-25(33)23-18-29-24(22-7-4-3-6-21(22)23)31-14-16-32(17-15-31)26-27-12-5-13-28-26/h3-13,18H,2,14-17H2,1H3,(H,30,33)