4-methyl-1-[(3S)-3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]pentan-1-one

Systemtic Name: 4-methyl-1-[(3S)-3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]pentan-1-one Openeye Name: 4-methyl-1-[(3S)-3-[4-(o-tolyl)piperazin-1-yl]-1-piperidyl]pentan-1-one CAS Name: 4-methyl-1-[(3S)-3-[4-(2-methylphenyl)-1-piperazinyl]-1-piperidinyl]-1-pentanone IUPAC Name: 4-methyl-1-[(3S)-3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]pentan-1-one Traditional Name: 4-methyl-1-[(3S)-3-[4-(o-tolyl)piperazino]piperidino]pentan-1-one Formula: C22H35N3O MolecularWeight: 357.5328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)C3CCCN(C3)C(=O)CCC(C)C

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)[C@H]3CCCN(C3)C(=O)CCC(C)C

InChI

InChI=1S/C22H35N3O/c1-18(2)10-11-22(26)25-12-6-8-20(17-25)23-13-15-24(16-14-23)21-9-5-4-7-19(21)3/h4-5,7,9,18,20H,6,8,10-17H2,1-3H3/t20-/m0/s1