[4-(phenylmethyl)piperidin-1-yl]-[1-(phenylmethyl)-3-pyridin-3-yl-pyrazol-4-yl]methanone

Systemtic Name: [4-(phenylmethyl)piperidin-1-yl]-[1-(phenylmethyl)-3-pyridin-3-yl-pyrazol-4-yl]methanone Openeye Name: (4-benzyl-1-piperidyl)-[1-benzyl-3-(3-pyridyl)pyrazol-4-yl]methanone CAS Name: [4-(phenylmethyl)-1-piperidinyl]-[1-(phenylmethyl)-3-(3-pyridinyl)-4-pyrazolyl]methanone IUPAC Name: (4-benzylpiperidin-1-yl)-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methanone Traditional Name: (4-benzylpiperidino)-[1-benzyl-3-(3-pyridyl)pyrazol-4-yl]methanone Formula: C28H28N4O MolecularWeight: 436.54812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C(=O)C3=CN(N=C3C4=CN=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C(=O)C3=CN(N=C3C4=CN=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C28H28N4O/c33-28(31-16-13-23(14-17-31)18-22-8-3-1-4-9-22)26-21-32(20-24-10-5-2-6-11-24)30-27(26)25-12-7-15-29-19-25/h1-12,15,19,21,23H,13-14,16-18,20H2