1-(4-pyrimidin-2-ylpiperazin-1-yl)-N-(3,4,5-trimethoxyphenyl)isoquinoline-4-carboxamide

Systemtic Name: 1-(4-pyrimidin-2-ylpiperazin-1-yl)-N-(3,4,5-trimethoxyphenyl)isoquinoline-4-carboxamide Openeye Name: 1-(4-pyrimidin-2-ylpiperazin-1-yl)-N-(3,4,5-trimethoxyphenyl)isoquinoline-4-carboxamide CAS Name: 1-[4-(2-pyrimidinyl)-1-piperazinyl]-N-(3,4,5-trimethoxyphenyl)-4-isoquinolinecarboxamide IUPAC Name: 1-(4-pyrimidin-2-ylpiperazin-1-yl)-N-(3,4,5-trimethoxyphenyl)isoquinoline-4-carboxamide Traditional Name: 1-[4-(2-pyrimidyl)piperazino]-N-(3,4,5-trimethoxyphenyl)isoquinoline-4-carboxamide Formula: C27H28N6O4 MolecularWeight: 500.54902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC(=O)C2=CN=C(C3=CC=CC=C32)N4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC(=O)C2=CN=C(C3=CC=CC=C32)N4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C27H28N6O4/c1-35-22-15-18(16-23(36-2)24(22)37-3)31-26(34)21-17-30-25(20-8-5-4-7-19(20)21)32-11-13-33(14-12-32)27-28-9-6-10-29-27/h4-10,15-17H,11-14H2,1-3H3,(H,31,34)