2-[[4-(5-methoxy-2-oxidanyl-phenyl)carbonylpiperazin-1-yl]methyl]-1H-quinazolin-4-one

Systemtic Name: 2-[[4-(5-methoxy-2-oxidanyl-phenyl)carbonylpiperazin-1-yl]methyl]-1H-quinazolin-4-one Openeye Name: 2-[[4-(2-hydroxy-5-methoxy-benzoyl)piperazin-1-yl]methyl]-1H-quinazolin-4-one CAS Name: 2-[[4-[(2-hydroxy-5-methoxyphenyl)-oxomethyl]-1-piperazinyl]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[4-(2-hydroxy-5-methoxybenzoyl)piperazin-1-yl]methyl]-1H-quinazolin-4-one Traditional Name: 2-[[4-(2-hydroxy-5-methoxy-benzoyl)piperazino]methyl]-1H-quinazolin-4-one Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)O)C(=O)N2CCN(CC2)CC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

COC1=CC(=C(C=C1)O)C(=O)N2CCN(CC2)CC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C21H22N4O4/c1-29-14-6-7-18(26)16(12-14)21(28)25-10-8-24(9-11-25)13-19-22-17-5-3-2-4-15(17)20(27)23-19/h2-7,12,26H,8-11,13H2,1H3,(H,22,23,27)