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

Systemtic Name: N-(4-phenoxyphenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)isoquinoline-4-carboxamide Openeye Name: N-(4-phenoxyphenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)isoquinoline-4-carboxamide CAS Name: N-(4-phenoxyphenyl)-1-[4-(2-pyrimidinyl)-1-piperazinyl]-4-isoquinolinecarboxamide IUPAC Name: N-(4-phenoxyphenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)isoquinoline-4-carboxamide Traditional Name: N-(4-phenoxyphenyl)-1-[4-(2-pyrimidyl)piperazino]isoquinoline-4-carboxamide Formula: C30H26N6O2 MolecularWeight: 502.56644

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=C(C3=CC=CC=C32)C(=O)NC4=CC=C(C=C4)OC5=CC=CC=C5)C6=NC=CC=N6

Isomeric SMILES

C1CN(CCN1C2=NC=C(C3=CC=CC=C32)C(=O)NC4=CC=C(C=C4)OC5=CC=CC=C5)C6=NC=CC=N6

InChI

InChI=1S/C30H26N6O2/c37-29(34-22-11-13-24(14-12-22)38-23-7-2-1-3-8-23)27-21-33-28(26-10-5-4-9-25(26)27)35-17-19-36(20-18-35)30-31-15-6-16-32-30/h1-16,21H,17-20H2,(H,34,37)