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

Systemtic Name: 2-[[4-(1-phenyl-3-pyridin-3-yl-pyrazol-4-yl)carbonylpiperazin-1-yl]methyl]-1H-quinazolin-4-one Openeye Name: 2-[[4-[1-phenyl-3-(3-pyridyl)pyrazole-4-carbonyl]piperazin-1-yl]methyl]-1H-quinazolin-4-one CAS Name: 2-[[4-[oxo-[1-phenyl-3-(3-pyridinyl)-4-pyrazolyl]methyl]-1-piperazinyl]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[4-(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)piperazin-1-yl]methyl]-1H-quinazolin-4-one Traditional Name: 2-[[4-[1-phenyl-3-(3-pyridyl)pyrazole-4-carbonyl]piperazino]methyl]-1H-quinazolin-4-one Formula: C28H25N7O2 MolecularWeight: 491.5438

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=NC(=O)C3=CC=CC=C3N2)C(=O)C4=CN(N=C4C5=CN=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1CN(CCN1CC2=NC(=O)C3=CC=CC=C3N2)C(=O)C4=CN(N=C4C5=CN=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C28H25N7O2/c36-27-22-10-4-5-11-24(22)30-25(31-27)19-33-13-15-34(16-14-33)28(37)23-18-35(21-8-2-1-3-9-21)32-26(23)20-7-6-12-29-17-20/h1-12,17-18H,13-16,19H2,(H,30,31,36)