N-(4-ethylphenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)isoquinoline-4-carboxamide

Systemtic Name: N-(4-ethylphenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)isoquinoline-4-carboxamide Openeye Name: N-(4-ethylphenyl)-1-[4-(2-pyridyl)piperazin-1-yl]isoquinoline-4-carboxamide CAS Name: N-(4-ethylphenyl)-1-[4-(2-pyridinyl)-1-piperazinyl]-4-isoquinolinecarboxamide IUPAC Name: N-(4-ethylphenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)isoquinoline-4-carboxamide Traditional Name: N-(4-ethylphenyl)-1-[4-(2-pyridyl)piperazino]isoquinoline-4-carboxamide Formula: C27H27N5O MolecularWeight: 437.53618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C2=CN=C(C3=CC=CC=C32)N4CCN(CC4)C5=CC=CC=N5

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C2=CN=C(C3=CC=CC=C32)N4CCN(CC4)C5=CC=CC=N5

InChI

InChI=1S/C27H27N5O/c1-2-20-10-12-21(13-11-20)30-27(33)24-19-29-26(23-8-4-3-7-22(23)24)32-17-15-31(16-18-32)25-9-5-6-14-28-25/h3-14,19H,2,15-18H2,1H3,(H,30,33)