1-[4-[(3S)-3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]carbonylphenyl]ethanone

Systemtic Name: 1-[4-[(3S)-3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]carbonylphenyl]ethanone Openeye Name: 1-[4-[(3S)-3-[4-(o-tolyl)piperazin-1-yl]piperidine-1-carbonyl]phenyl]ethanone CAS Name: 1-[4-[[(3S)-3-[4-(2-methylphenyl)-1-piperazinyl]-1-piperidinyl]-oxomethyl]phenyl]ethanone IUPAC Name: 1-[4-[(3S)-3-[4-(2-methylphenyl)piperazin-1-yl]piperidine-1-carbonyl]phenyl]ethanone Traditional Name: 1-[4-[(3S)-3-[4-(o-tolyl)piperazino]piperidine-1-carbonyl]phenyl]ethanone Formula: C25H31N3O2 MolecularWeight: 405.53254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)C3CCCN(C3)C(=O)C4=CC=C(C=C4)C(=O)C

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)[C@H]3CCCN(C3)C(=O)C4=CC=C(C=C4)C(=O)C

InChI

InChI=1S/C25H31N3O2/c1-19-6-3-4-8-24(19)27-16-14-26(15-17-27)23-7-5-13-28(18-23)25(30)22-11-9-21(10-12-22)20(2)29/h3-4,6,8-12,23H,5,7,13-18H2,1-2H3/t23-/m0/s1