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

Systemtic Name: 3-(2,4-dimethoxyphenyl)-2-[(4-ethylpiperazin-1-yl)methyl]-6-nitro-quinazolin-4-one Openeye Name: 3-(2,4-dimethoxyphenyl)-2-[(4-ethylpiperazin-1-yl)methyl]-6-nitro-quinazolin-4-one CAS Name: 3-(2,4-dimethoxyphenyl)-2-[(4-ethyl-1-piperazinyl)methyl]-6-nitro-4-quinazolinone IUPAC Name: 3-(2,4-dimethoxyphenyl)-2-[(4-ethylpiperazin-1-yl)methyl]-6-nitroquinazolin-4-one Traditional Name: 3-(2,4-dimethoxyphenyl)-2-[(4-ethylpiperazino)methyl]-6-nitro-quinazolin-4-one Formula: C23H27N5O5 MolecularWeight: 453.49098

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CC2=NC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)N2C4=C(C=C(C=C4)OC)OC

Isomeric SMILES

CCN1CCN(CC1)CC2=NC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)N2C4=C(C=C(C=C4)OC)OC

InChI

InChI=1S/C23H27N5O5/c1-4-25-9-11-26(12-10-25)15-22-24-19-7-5-16(28(30)31)13-18(19)23(29)27(22)20-8-6-17(32-2)14-21(20)33-3/h5-8,13-14H,4,9-12,15H2,1-3H3