1-(5-phenyl-3,4-dihydropyrazol-2-yl)-4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)butane-1,4-dione

Systemtic Name: 1-(5-phenyl-3,4-dihydropyrazol-2-yl)-4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)butane-1,4-dione Openeye Name: 1-(5-phenyl-3,4-dihydropyrazol-2-yl)-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]butane-1,4-dione CAS Name: 1-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butane-1,4-dione IUPAC Name: 1-(5-phenyl-3,4-dihydropyrazol-2-yl)-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]butane-1,4-dione Traditional Name: 1-(3-phenyl-2-pyrazolin-1-yl)-4-[4-(2-thenoyl)piperazino]butane-1,4-dione Formula: C22H24N4O3S MolecularWeight: 424.51596

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(N=C1C2=CC=CC=C2)C(=O)CCC(=O)N3CCN(CC3)C(=O)C4=CC=CS4

Isomeric SMILES

C1CN(N=C1C2=CC=CC=C2)C(=O)CCC(=O)N3CCN(CC3)C(=O)C4=CC=CS4

InChI

InChI=1S/C22H24N4O3S/c27-20(24-12-14-25(15-13-24)22(29)19-7-4-16-30-19)8-9-21(28)26-11-10-18(23-26)17-5-2-1-3-6-17/h1-7,16H,8-15H2