N-methyl-N-[[(3S)-1-[2-(2-methylphenyl)ethyl]piperidin-3-yl]methyl]-3-pyrazol-1-yl-benzamide

Systemtic Name: N-methyl-N-[[(3S)-1-[2-(2-methylphenyl)ethyl]piperidin-3-yl]methyl]-3-pyrazol-1-yl-benzamide Openeye Name: N-methyl-N-[[(3S)-1-[2-(o-tolyl)ethyl]-3-piperidyl]methyl]-3-pyrazol-1-yl-benzamide CAS Name: N-methyl-N-[[(3S)-1-[2-(2-methylphenyl)ethyl]-3-piperidinyl]methyl]-3-(1-pyrazolyl)benzamide IUPAC Name: N-methyl-N-[[(3S)-1-[2-(2-methylphenyl)ethyl]piperidin-3-yl]methyl]-3-pyrazol-1-ylbenzamide Traditional Name: N-methyl-N-[[(3S)-1-[2-(o-tolyl)ethyl]-3-piperidyl]methyl]-3-pyrazol-1-yl-benzamide Formula: C26H32N4O MolecularWeight: 416.55848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CCN2CCCC(C2)CN(C)C(=O)C3=CC(=CC=C3)N4C=CC=N4

Isomeric SMILES

CC1=CC=CC=C1CCN2CCC[C@@H](C2)CN(C)C(=O)C3=CC(=CC=C3)N4C=CC=N4

InChI

InChI=1S/C26H32N4O/c1-21-8-3-4-10-23(21)13-17-29-15-6-9-22(20-29)19-28(2)26(31)24-11-5-12-25(18-24)30-16-7-14-27-30/h3-5,7-8,10-12,14,16,18,22H,6,9,13,15,17,19-20H2,1-2H3/t22-/m1/s1