1-[4-(4-methyloxan-4-yl)phenyl]-3-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]piperidin-2-one

Systemtic Name: 1-[4-(4-methyloxan-4-yl)phenyl]-3-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]piperidin-2-one Openeye Name: 3-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-1-[4-(4-methyltetrahydropyran-4-yl)phenyl]piperidin-2-one CAS Name: 1-[4-(4-methyl-4-oxanyl)phenyl]-3-[[2-(4-methyl-1-piperazinyl)phenyl]methyl]-2-piperidinone IUPAC Name: 1-[4-(4-methyloxan-4-yl)phenyl]-3-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]piperidin-2-one Traditional Name: 3-[2-(4-methylpiperazino)benzyl]-1-[4-(4-methyltetrahydropyran-4-yl)phenyl]-2-piperidone Formula: C29H39N3O2 MolecularWeight: 461.63886

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCOCC1)C2=CC=C(C=C2)N3CCCC(C3=O)CC4=CC=CC=C4N5CCN(CC5)C

Isomeric SMILES

CC1(CCOCC1)C2=CC=C(C=C2)N3CCCC(C3=O)CC4=CC=CC=C4N5CCN(CC5)C

InChI

InChI=1S/C29H39N3O2/c1-29(13-20-34-21-14-29)25-9-11-26(12-10-25)32-15-5-7-24(28(32)33)22-23-6-3-4-8-27(23)31-18-16-30(2)17-19-31/h3-4,6,8-12,24H,5,7,13-22H2,1-2H3