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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1)(C2=CC(=CC=C2)NC(=O)C3=CN=NC4=CC=CC=C43)N5CCN(CC5)C6=CC=C(C=C6)F

Isomeric SMILES

CC1CCCC(C1)(C2=CC(=CC=C2)NC(=O)C3=CN=NC4=CC=CC=C43)N5CCN(CC5)C6=CC=C(C=C6)F

InChI

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