[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

Systemtic Name: [1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: [1-benzyl-3-(2-thienyl)pyrazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: [1-(phenylmethyl)-3-thiophen-2-yl-4-pyrazolyl]-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: (1-benzyl-3-thiophen-2-ylpyrazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: [1-benzyl-3-(2-thienyl)pyrazol-4-yl]-[4-(2-pyrimidyl)piperazino]methanone Formula: C23H22N6OS MolecularWeight: 430.52538

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)C3=CN(N=C3C4=CC=CS4)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)C3=CN(N=C3C4=CC=CS4)CC5=CC=CC=C5

InChI

InChI=1S/C23H22N6OS/c30-22(27-11-13-28(14-12-27)23-24-9-5-10-25-23)19-17-29(16-18-6-2-1-3-7-18)26-21(19)20-8-4-15-31-20/h1-10,15,17H,11-14,16H2