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

Systemtic Name: [4-(4-methoxyphenyl)piperazin-1-yl]-[1-(phenylmethyl)-3-pyridin-3-yl-pyrazol-4-yl]methanone Openeye Name: [1-benzyl-3-(3-pyridyl)pyrazol-4-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone CAS Name: [4-(4-methoxyphenyl)-1-piperazinyl]-[1-(phenylmethyl)-3-(3-pyridinyl)-4-pyrazolyl]methanone IUPAC Name: (1-benzyl-3-pyridin-3-ylpyrazol-4-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone Traditional Name: [1-benzyl-3-(3-pyridyl)pyrazol-4-yl]-[4-(4-methoxyphenyl)piperazino]methanone Formula: C27H27N5O2 MolecularWeight: 453.53558

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CN(N=C3C4=CN=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CN(N=C3C4=CN=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C27H27N5O2/c1-34-24-11-9-23(10-12-24)30-14-16-31(17-15-30)27(33)25-20-32(19-21-6-3-2-4-7-21)29-26(25)22-8-5-13-28-18-22/h2-13,18,20H,14-17,19H2,1H3