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

Systemtic Name: [4-(phenylmethyl)piperazin-1-yl]-[1-(phenylmethyl)-3-pyridin-3-yl-pyrazol-4-yl]methanone Openeye Name: (4-benzylpiperazin-1-yl)-[1-benzyl-3-(3-pyridyl)pyrazol-4-yl]methanone CAS Name: [4-(phenylmethyl)-1-piperazinyl]-[1-(phenylmethyl)-3-(3-pyridinyl)-4-pyrazolyl]methanone IUPAC Name: (4-benzylpiperazin-1-yl)-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methanone Traditional Name: (4-benzylpiperazino)-[1-benzyl-3-(3-pyridyl)pyrazol-4-yl]methanone Formula: C27H27N5O MolecularWeight: 437.53618

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=CN(N=C3C4=CN=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=CN(N=C3C4=CN=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C27H27N5O/c33-27(31-16-14-30(15-17-31)19-22-8-3-1-4-9-22)25-21-32(20-23-10-5-2-6-11-23)29-26(25)24-12-7-13-28-18-24/h1-13,18,21H,14-17,19-20H2