2-[[4-(2-phenyl-5-thiophen-2-yl-pyrazol-3-yl)carbonylpiperazin-1-yl]methyl]-1H-quinazolin-4-one

Systemtic Name: 2-[[4-(2-phenyl-5-thiophen-2-yl-pyrazol-3-yl)carbonylpiperazin-1-yl]methyl]-1H-quinazolin-4-one Openeye Name: 2-[[4-[2-phenyl-5-(2-thienyl)pyrazole-3-carbonyl]piperazin-1-yl]methyl]-1H-quinazolin-4-one CAS Name: 2-[[4-[oxo-(2-phenyl-5-thiophen-2-yl-3-pyrazolyl)methyl]-1-piperazinyl]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[4-(2-phenyl-5-thiophen-2-ylpyrazole-3-carbonyl)piperazin-1-yl]methyl]-1H-quinazolin-4-one Traditional Name: 2-[[4-[2-phenyl-5-(2-thienyl)pyrazole-3-carbonyl]piperazino]methyl]-1H-quinazolin-4-one Formula: C27H24N6O2S MolecularWeight: 496.58346

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=NC(=O)C3=CC=CC=C3N2)C(=O)C4=CC(=NN4C5=CC=CC=C5)C6=CC=CS6

Isomeric SMILES

C1CN(CCN1CC2=NC(=O)C3=CC=CC=C3N2)C(=O)C4=CC(=NN4C5=CC=CC=C5)C6=CC=CS6

InChI

InChI=1S/C27H24N6O2S/c34-26-20-9-4-5-10-21(20)28-25(29-26)18-31-12-14-32(15-13-31)27(35)23-17-22(24-11-6-16-36-24)30-33(23)19-7-2-1-3-8-19/h1-11,16-17H,12-15,18H2,(H,28,29,34)