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

Systemtic Name: N-(3-methoxyphenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)isoquinoline-4-carboxamide Openeye Name: N-(3-methoxyphenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)isoquinoline-4-carboxamide CAS Name: N-(3-methoxyphenyl)-1-[4-(2-pyrimidinyl)-1-piperazinyl]-4-isoquinolinecarboxamide IUPAC Name: N-(3-methoxyphenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)isoquinoline-4-carboxamide Traditional Name: N-(3-methoxyphenyl)-1-[4-(2-pyrimidyl)piperazino]isoquinoline-4-carboxamide Formula: C25H24N6O2 MolecularWeight: 440.49706

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)C2=CN=C(C3=CC=CC=C32)N4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)C2=CN=C(C3=CC=CC=C32)N4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C25H24N6O2/c1-33-19-7-4-6-18(16-19)29-24(32)22-17-28-23(21-9-3-2-8-20(21)22)30-12-14-31(15-13-30)25-26-10-5-11-27-25/h2-11,16-17H,12-15H2,1H3,(H,29,32)