N-(2,3-dimethylcyclohexyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]isoquinoline-4-carboxamide

Systemtic Name: N-(2,3-dimethylcyclohexyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]isoquinoline-4-carboxamide Openeye Name: N-(2,3-dimethylcyclohexyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]isoquinoline-4-carboxamide CAS Name: N-(2,3-dimethylcyclohexyl)-1-[4-(2-methoxyphenyl)-1-piperazinyl]-4-isoquinolinecarboxamide IUPAC Name: N-(2,3-dimethylcyclohexyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]isoquinoline-4-carboxamide Traditional Name: N-(2,3-dimethylcyclohexyl)-1-[4-(2-methoxyphenyl)piperazino]isoquinoline-4-carboxamide Formula: C29H36N4O2 MolecularWeight: 472.62174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)NC(=O)C2=CN=C(C3=CC=CC=C32)N4CCN(CC4)C5=CC=CC=C5OC

Isomeric SMILES

CC1CCCC(C1C)NC(=O)C2=CN=C(C3=CC=CC=C32)N4CCN(CC4)C5=CC=CC=C5OC

InChI

InChI=1S/C29H36N4O2/c1-20-9-8-12-25(21(20)2)31-29(34)24-19-30-28(23-11-5-4-10-22(23)24)33-17-15-32(16-18-33)26-13-6-7-14-27(26)35-3/h4-7,10-11,13-14,19-21,25H,8-9,12,15-18H2,1-3H3,(H,31,34)