2-[[4-(1-phenylpyrazol-4-yl)carbonylpiperazin-1-yl]methyl]-1H-quinazolin-4-one

Systemtic Name: 2-[[4-(1-phenylpyrazol-4-yl)carbonylpiperazin-1-yl]methyl]-1H-quinazolin-4-one Openeye Name: 2-[[4-(1-phenylpyrazole-4-carbonyl)piperazin-1-yl]methyl]-1H-quinazolin-4-one CAS Name: 2-[[4-[oxo-(1-phenyl-4-pyrazolyl)methyl]-1-piperazinyl]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[4-(1-phenylpyrazole-4-carbonyl)piperazin-1-yl]methyl]-1H-quinazolin-4-one Traditional Name: 2-[[4-(1-phenylpyrazole-4-carbonyl)piperazino]methyl]-1H-quinazolin-4-one Formula: C23H22N6O2 MolecularWeight: 414.45978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22N6O2/c30-22-19-8-4-5-9-20(19)25-21(26-22)16-27-10-12-28(13-11-27)23(31)17-14-24-29(15-17)18-6-2-1-3-7-18/h1-9,14-15H,10-13,16H2,(H,25,26,30)