1-[3-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-4-phenyl-butan-1-one

Systemtic Name: 1-[3-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-4-phenyl-butan-1-one Openeye Name: 1-[3-[4-(o-tolyl)-1H-pyrazol-5-yl]-1-piperidyl]-4-phenyl-butan-1-one CAS Name: 1-[3-[4-(2-methylphenyl)-1H-pyrazol-5-yl]-1-piperidinyl]-4-phenyl-1-butanone IUPAC Name: 1-[3-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-4-phenylbutan-1-one Traditional Name: 1-[3-[4-(o-tolyl)-1H-pyrazol-5-yl]piperidino]-4-phenyl-butan-1-one Formula: C25H29N3O MolecularWeight: 387.51726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(NN=C2)C3CCCN(C3)C(=O)CCCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1C2=C(NN=C2)C3CCCN(C3)C(=O)CCCC4=CC=CC=C4

InChI

InChI=1S/C25H29N3O/c1-19-9-5-6-14-22(19)23-17-26-27-25(23)21-13-8-16-28(18-21)24(29)15-7-12-20-10-3-2-4-11-20/h2-6,9-11,14,17,21H,7-8,12-13,15-16,18H2,1H3,(H,26,27)