1-(4-pyridin-2-ylpiperazin-1-yl)-3-[1-[(2,4,5-trimethylphenyl)methyl]piperidin-3-yl]propan-1-one

Systemtic Name: 1-(4-pyridin-2-ylpiperazin-1-yl)-3-[1-[(2,4,5-trimethylphenyl)methyl]piperidin-3-yl]propan-1-one Openeye Name: 1-[4-(2-pyridyl)piperazin-1-yl]-3-[1-[(2,4,5-trimethylphenyl)methyl]-3-piperidyl]propan-1-one CAS Name: 1-[4-(2-pyridinyl)-1-piperazinyl]-3-[1-[(2,4,5-trimethylphenyl)methyl]-3-piperidinyl]-1-propanone IUPAC Name: 1-(4-pyridin-2-ylpiperazin-1-yl)-3-[1-[(2,4,5-trimethylphenyl)methyl]piperidin-3-yl]propan-1-one Traditional Name: 1-[4-(2-pyridyl)piperazino]-3-[1-(2,4,5-trimethylbenzyl)-3-piperidyl]propan-1-one Formula: C27H38N4O MolecularWeight: 434.61682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)CN2CCCC(C2)CCC(=O)N3CCN(CC3)C4=CC=CC=N4)C

Isomeric SMILES

CC1=CC(=C(C=C1C)CN2CCCC(C2)CCC(=O)N3CCN(CC3)C4=CC=CC=N4)C

InChI

InChI=1S/C27H38N4O/c1-21-17-23(3)25(18-22(21)2)20-29-12-6-7-24(19-29)9-10-27(32)31-15-13-30(14-16-31)26-8-4-5-11-28-26/h4-5,8,11,17-18,24H,6-7,9-10,12-16,19-20H2,1-3H3