1-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(4-phenoxyphenyl)isoquinoline-4-carboxamide

Systemtic Name: 1-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(4-phenoxyphenyl)isoquinoline-4-carboxamide Openeye Name: 1-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(4-phenoxyphenyl)isoquinoline-4-carboxamide CAS Name: 1-[4-(2-methoxyphenyl)-1-piperazinyl]-N-(4-phenoxyphenyl)-4-isoquinolinecarboxamide IUPAC Name: 1-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(4-phenoxyphenyl)isoquinoline-4-carboxamide Traditional Name: 1-[4-(2-methoxyphenyl)piperazino]-N-(4-phenoxyphenyl)isoquinoline-4-carboxamide Formula: C33H30N4O3 MolecularWeight: 530.6163

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C3=NC=C(C4=CC=CC=C43)C(=O)NC5=CC=C(C=C5)OC6=CC=CC=C6

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C3=NC=C(C4=CC=CC=C43)C(=O)NC5=CC=C(C=C5)OC6=CC=CC=C6

InChI

InChI=1S/C33H30N4O3/c1-39-31-14-8-7-13-30(31)36-19-21-37(22-20-36)32-28-12-6-5-11-27(28)29(23-34-32)33(38)35-24-15-17-26(18-16-24)40-25-9-3-2-4-10-25/h2-18,23H,19-22H2,1H3,(H,35,38)