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

Systemtic Name: 3-(3-methoxyphenyl)-6-nitro-2-[(4-phenylpiperazin-1-yl)methyl]quinazolin-4-one Openeye Name: 3-(3-methoxyphenyl)-6-nitro-2-[(4-phenylpiperazin-1-yl)methyl]quinazolin-4-one CAS Name: 3-(3-methoxyphenyl)-6-nitro-2-[(4-phenyl-1-piperazinyl)methyl]-4-quinazolinone IUPAC Name: 3-(3-methoxyphenyl)-6-nitro-2-[(4-phenylpiperazin-1-yl)methyl]quinazolin-4-one Traditional Name: 3-(3-methoxyphenyl)-6-nitro-2-[(4-phenylpiperazino)methyl]quinazolin-4-one Formula: C26H25N5O4 MolecularWeight: 471.5078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H25N5O4/c1-35-22-9-5-8-20(16-22)30-25(27-24-11-10-21(31(33)34)17-23(24)26(30)32)18-28-12-14-29(15-13-28)19-6-3-2-4-7-19/h2-11,16-17H,12-15,18H2,1H3