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

Systemtic Name: [1-(phenylmethyl)-3-pyridin-3-yl-pyrazol-4-yl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone Openeye Name: [1-benzyl-3-(3-pyridyl)pyrazol-4-yl]-[4-(3-thienylmethyl)piperazin-1-yl]methanone CAS Name: [1-(phenylmethyl)-3-(3-pyridinyl)-4-pyrazolyl]-[4-(3-thiophenylmethyl)-1-piperazinyl]methanone IUPAC Name: (1-benzyl-3-pyridin-3-ylpyrazol-4-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone Traditional Name: [1-benzyl-3-(3-pyridyl)pyrazol-4-yl]-[4-(3-thenyl)piperazino]methanone Formula: C25H25N5OS MolecularWeight: 443.5639

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25N5OS/c31-25(29-12-10-28(11-13-29)16-21-8-14-32-19-21)23-18-30(17-20-5-2-1-3-6-20)27-24(23)22-7-4-9-26-15-22/h1-9,14-15,18-19H,10-13,16-17H2