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

Systemtic Name: 3-(2,4-dimethoxyphenyl)-2-[(4-methylpiperazin-1-yl)methyl]-6-nitro-quinazolin-4-one Openeye Name: 3-(2,4-dimethoxyphenyl)-2-[(4-methylpiperazin-1-yl)methyl]-6-nitro-quinazolin-4-one CAS Name: 3-(2,4-dimethoxyphenyl)-2-[(4-methyl-1-piperazinyl)methyl]-6-nitro-4-quinazolinone IUPAC Name: 3-(2,4-dimethoxyphenyl)-2-[(4-methylpiperazin-1-yl)methyl]-6-nitroquinazolin-4-one Traditional Name: 3-(2,4-dimethoxyphenyl)-2-[(4-methylpiperazino)methyl]-6-nitro-quinazolin-4-one Formula: C22H25N5O5 MolecularWeight: 439.4644

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC2=NC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)N2C4=C(C=C(C=C4)OC)OC

Isomeric SMILES

CN1CCN(CC1)CC2=NC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)N2C4=C(C=C(C=C4)OC)OC

InChI

InChI=1S/C22H25N5O5/c1-24-8-10-25(11-9-24)14-21-23-18-6-4-15(27(29)30)12-17(18)22(28)26(21)19-7-5-16(31-2)13-20(19)32-3/h4-7,12-13H,8-11,14H2,1-3H3