[3-(hydroxymethyl)-3-phenethyl-piperidin-1-yl]-(4-pyrazol-1-ylphenyl)methanone

Systemtic Name: [3-(hydroxymethyl)-3-phenethyl-piperidin-1-yl]-(4-pyrazol-1-ylphenyl)methanone Openeye Name: [3-(hydroxymethyl)-3-phenethyl-1-piperidyl]-(4-pyrazol-1-ylphenyl)methanone CAS Name: [3-(hydroxymethyl)-3-phenethyl-1-piperidinyl]-[4-(1-pyrazolyl)phenyl]methanone IUPAC Name: [3-(hydroxymethyl)-3-phenethylpiperidin-1-yl]-(4-pyrazol-1-ylphenyl)methanone Traditional Name: (3-methylol-3-phenethyl-piperidino)-(4-pyrazol-1-ylphenyl)methanone Formula: C24H27N3O2 MolecularWeight: 389.49008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CC=C(C=C2)N3C=CC=N3)(CCC4=CC=CC=C4)CO

Isomeric SMILES

C1CC(CN(C1)C(=O)C2=CC=C(C=C2)N3C=CC=N3)(CCC4=CC=CC=C4)CO

InChI

InChI=1S/C24H27N3O2/c28-19-24(14-12-20-6-2-1-3-7-20)13-4-16-26(18-24)23(29)21-8-10-22(11-9-21)27-17-5-15-25-27/h1-3,5-11,15,17,28H,4,12-14,16,18-19H2