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

Systemtic Name: 3-(2,4-dimethoxyphenyl)-6-nitro-2-[(4-phenylpiperazin-1-yl)methyl]quinazolin-4-one Openeye Name: 3-(2,4-dimethoxyphenyl)-6-nitro-2-[(4-phenylpiperazin-1-yl)methyl]quinazolin-4-one CAS Name: 3-(2,4-dimethoxyphenyl)-6-nitro-2-[(4-phenyl-1-piperazinyl)methyl]-4-quinazolinone IUPAC Name: 3-(2,4-dimethoxyphenyl)-6-nitro-2-[(4-phenylpiperazin-1-yl)methyl]quinazolin-4-one Traditional Name: 3-(2,4-dimethoxyphenyl)-6-nitro-2-[(4-phenylpiperazino)methyl]quinazolin-4-one Formula: C27H27N5O5 MolecularWeight: 501.53378

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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=C5)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=C5)OC

InChI

InChI=1S/C27H27N5O5/c1-36-21-9-11-24(25(17-21)37-2)31-26(28-23-10-8-20(32(34)35)16-22(23)27(31)33)18-29-12-14-30(15-13-29)19-6-4-3-5-7-19/h3-11,16-17H,12-15,18H2,1-2H3