N-[3-[1-[4-(4-fluorophenyl)piperazin-1-yl]-4-methyl-cyclohexyl]phenyl]cinnoline-4-carboxamide

Systemtic Name: N-[3-[1-[4-(4-fluorophenyl)piperazin-1-yl]-4-methyl-cyclohexyl]phenyl]cinnoline-4-carboxamide Openeye Name: N-[3-[1-[4-(4-fluorophenyl)piperazin-1-yl]-4-methyl-cyclohexyl]phenyl]cinnoline-4-carboxamide CAS Name: N-[3-[1-[4-(4-fluorophenyl)-1-piperazinyl]-4-methylcyclohexyl]phenyl]-4-cinnolinecarboxamide IUPAC Name: N-[3-[1-[4-(4-fluorophenyl)piperazin-1-yl]-4-methylcyclohexyl]phenyl]cinnoline-4-carboxamide Traditional Name: N-[3-[1-[4-(4-fluorophenyl)piperazino]-4-methyl-cyclohexyl]phenyl]cinnoline-4-carboxamide Formula: C32H34FN5O MolecularWeight: 523.643663

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)(C2=CC(=CC=C2)NC(=O)C3=CN=NC4=CC=CC=C43)N5CCN(CC5)C6=CC=C(C=C6)F

Isomeric SMILES

CC1CCC(CC1)(C2=CC(=CC=C2)NC(=O)C3=CN=NC4=CC=CC=C43)N5CCN(CC5)C6=CC=C(C=C6)F

InChI

InChI=1S/C32H34FN5O/c1-23-13-15-32(16-14-23,38-19-17-37(18-20-38)27-11-9-25(33)10-12-27)24-5-4-6-26(21-24)35-31(39)29-22-34-36-30-8-3-2-7-28(29)30/h2-12,21-23H,13-20H2,1H3,(H,35,39)