ethyl 4-(phenylmethyl)-1-[(3-pyrazol-1-ylphenyl)methyl]piperidine-4-carboxylate

Systemtic Name: ethyl 4-(phenylmethyl)-1-[(3-pyrazol-1-ylphenyl)methyl]piperidine-4-carboxylate Openeye Name: ethyl 4-benzyl-1-[(3-pyrazol-1-ylphenyl)methyl]piperidine-4-carboxylate CAS Name: 4-(phenylmethyl)-1-[[3-(1-pyrazolyl)phenyl]methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-benzyl-1-[(3-pyrazol-1-ylphenyl)methyl]piperidine-4-carboxylate Traditional Name: 4-benzyl-1-(3-pyrazol-1-ylbenzyl)isonipecotic acid ethyl ester Formula: C25H29N3O2 MolecularWeight: 403.51666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)CC2=CC(=CC=C2)N3C=CC=N3)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)CC2=CC(=CC=C2)N3C=CC=N3)CC4=CC=CC=C4

InChI

InChI=1S/C25H29N3O2/c1-2-30-24(29)25(19-21-8-4-3-5-9-21)12-16-27(17-13-25)20-22-10-6-11-23(18-22)28-15-7-14-26-28/h3-11,14-15,18H,2,12-13,16-17,19-20H2,1H3