N-[3-[4-methyl-1-(4-phenylpiperazin-1-yl)cyclohexyl]phenyl]-2-oxidanylidene-3-pyridin-4-yl-propanamide

Systemtic Name: N-[3-[4-methyl-1-(4-phenylpiperazin-1-yl)cyclohexyl]phenyl]-2-oxidanylidene-3-pyridin-4-yl-propanamide Openeye Name: N-[3-[4-methyl-1-(4-phenylpiperazin-1-yl)cyclohexyl]phenyl]-2-oxo-3-(4-pyridyl)propanamide CAS Name: N-[3-[4-methyl-1-(4-phenyl-1-piperazinyl)cyclohexyl]phenyl]-2-oxo-3-pyridin-4-ylpropanamide IUPAC Name: N-[3-[4-methyl-1-(4-phenylpiperazin-1-yl)cyclohexyl]phenyl]-2-oxo-3-pyridin-4-ylpropanamide Traditional Name: 2-keto-N-[3-[4-methyl-1-(4-phenylpiperazino)cyclohexyl]phenyl]-3-(4-pyridyl)propionamide Formula: C31H36N4O2 MolecularWeight: 496.64314

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)(C2=CC(=CC=C2)NC(=O)C(=O)CC3=CC=NC=C3)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

CC1CCC(CC1)(C2=CC(=CC=C2)NC(=O)C(=O)CC3=CC=NC=C3)N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C31H36N4O2/c1-24-10-14-31(15-11-24,35-20-18-34(19-21-35)28-8-3-2-4-9-28)26-6-5-7-27(23-26)33-30(37)29(36)22-25-12-16-32-17-13-25/h2-9,12-13,16-17,23-24H,10-11,14-15,18-22H2,1H3,(H,33,37)