[4-(2,3-dimethylphenyl)piperazin-1-yl]-[1-(phenylmethyl)-3-pyridin-3-yl-pyrazol-4-yl]methanone

Systemtic Name: [4-(2,3-dimethylphenyl)piperazin-1-yl]-[1-(phenylmethyl)-3-pyridin-3-yl-pyrazol-4-yl]methanone Openeye Name: [1-benzyl-3-(3-pyridyl)pyrazol-4-yl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone CAS Name: [4-(2,3-dimethylphenyl)-1-piperazinyl]-[1-(phenylmethyl)-3-(3-pyridinyl)-4-pyrazolyl]methanone IUPAC Name: (1-benzyl-3-pyridin-3-ylpyrazol-4-yl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone Traditional Name: [1-benzyl-3-(3-pyridyl)pyrazol-4-yl]-[4-(2,3-dimethylphenyl)piperazino]methanone Formula: C28H29N5O MolecularWeight: 451.56276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3=CN(N=C3C4=CN=CC=C4)CC5=CC=CC=C5)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3=CN(N=C3C4=CN=CC=C4)CC5=CC=CC=C5)C

InChI

InChI=1S/C28H29N5O/c1-21-8-6-12-26(22(21)2)31-14-16-32(17-15-31)28(34)25-20-33(19-23-9-4-3-5-10-23)30-27(25)24-11-7-13-29-18-24/h3-13,18,20H,14-17,19H2,1-2H3