N-[3-[4-methyl-1-(4-phenylpiperazin-1-yl)cyclohexyl]phenyl]-4-oxidanylidene-1H-quinoline-3-carboxamide

Systemtic Name: N-[3-[4-methyl-1-(4-phenylpiperazin-1-yl)cyclohexyl]phenyl]-4-oxidanylidene-1H-quinoline-3-carboxamide Openeye Name: N-[3-[4-methyl-1-(4-phenylpiperazin-1-yl)cyclohexyl]phenyl]-4-oxo-1H-quinoline-3-carboxamide CAS Name: N-[3-[4-methyl-1-(4-phenyl-1-piperazinyl)cyclohexyl]phenyl]-4-oxo-1H-quinoline-3-carboxamide IUPAC Name: N-[3-[4-methyl-1-(4-phenylpiperazin-1-yl)cyclohexyl]phenyl]-4-oxo-1H-quinoline-3-carboxamide Traditional Name: 4-keto-N-[3-[4-methyl-1-(4-phenylpiperazino)cyclohexyl]phenyl]-1H-quinoline-3-carboxamide Formula: C33H36N4O2 MolecularWeight: 520.66454

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)(C2=CC(=CC=C2)NC(=O)C3=CNC4=CC=CC=C4C3=O)N5CCN(CC5)C6=CC=CC=C6

Isomeric SMILES

CC1CCC(CC1)(C2=CC(=CC=C2)NC(=O)C3=CNC4=CC=CC=C4C3=O)N5CCN(CC5)C6=CC=CC=C6

InChI

InChI=1S/C33H36N4O2/c1-24-14-16-33(17-15-24,37-20-18-36(19-21-37)27-10-3-2-4-11-27)25-8-7-9-26(22-25)35-32(39)29-23-34-30-13-6-5-12-28(30)31(29)38/h2-13,22-24H,14-21H2,1H3,(H,34,38)(H,35,39)