1-(4-ethylpiperazin-1-yl)-N-(4-phenoxyphenyl)isoquinoline-4-carboxamide

Systemtic Name: 1-(4-ethylpiperazin-1-yl)-N-(4-phenoxyphenyl)isoquinoline-4-carboxamide Openeye Name: 1-(4-ethylpiperazin-1-yl)-N-(4-phenoxyphenyl)isoquinoline-4-carboxamide CAS Name: 1-(4-ethyl-1-piperazinyl)-N-(4-phenoxyphenyl)-4-isoquinolinecarboxamide IUPAC Name: 1-(4-ethylpiperazin-1-yl)-N-(4-phenoxyphenyl)isoquinoline-4-carboxamide Traditional Name: 1-(4-ethylpiperazino)-N-(4-phenoxyphenyl)isoquinoline-4-carboxamide Formula: C28H28N4O2 MolecularWeight: 452.54752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC=C(C3=CC=CC=C32)C(=O)NC4=CC=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

CCN1CCN(CC1)C2=NC=C(C3=CC=CC=C32)C(=O)NC4=CC=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C28H28N4O2/c1-2-31-16-18-32(19-17-31)27-25-11-7-6-10-24(25)26(20-29-27)28(33)30-21-12-14-23(15-13-21)34-22-8-4-3-5-9-22/h3-15,20H,2,16-19H2,1H3,(H,30,33)