3-(2,4-dimethoxyphenyl)-6-nitro-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]quinazolin-4-one

Systemtic Name: 3-(2,4-dimethoxyphenyl)-6-nitro-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]quinazolin-4-one Openeye Name: 3-(2,4-dimethoxyphenyl)-6-nitro-2-[[4-(2-pyridyl)piperazin-1-yl]methyl]quinazolin-4-one CAS Name: 3-(2,4-dimethoxyphenyl)-6-nitro-2-[[4-(2-pyridinyl)-1-piperazinyl]methyl]-4-quinazolinone IUPAC Name: 3-(2,4-dimethoxyphenyl)-6-nitro-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]quinazolin-4-one Traditional Name: 3-(2,4-dimethoxyphenyl)-6-nitro-2-[[4-(2-pyridyl)piperazino]methyl]quinazolin-4-one Formula: C26H26N6O5 MolecularWeight: 502.52184

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)N2C(=NC3=C(C2=O)C=C(C=C3)[N+](=O)[O-])CN4CCN(CC4)C5=CC=CC=N5)OC

Isomeric SMILES

COC1=CC(=C(C=C1)N2C(=NC3=C(C2=O)C=C(C=C3)[N+](=O)[O-])CN4CCN(CC4)C5=CC=CC=N5)OC

InChI

InChI=1S/C26H26N6O5/c1-36-19-7-9-22(23(16-19)37-2)31-25(28-21-8-6-18(32(34)35)15-20(21)26(31)33)17-29-11-13-30(14-12-29)24-5-3-4-10-27-24/h3-10,15-16H,11-14,17H2,1-2H3