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

Systemtic Name: 3-(2,4-dimethoxyphenyl)-6-nitro-2-[[4-(phenylmethyl)piperazin-1-yl]methyl]quinazolin-4-one Openeye Name: 2-[(4-benzylpiperazin-1-yl)methyl]-3-(2,4-dimethoxyphenyl)-6-nitro-quinazolin-4-one CAS Name: 3-(2,4-dimethoxyphenyl)-6-nitro-2-[[4-(phenylmethyl)-1-piperazinyl]methyl]-4-quinazolinone IUPAC Name: 2-[(4-benzylpiperazin-1-yl)methyl]-3-(2,4-dimethoxyphenyl)-6-nitroquinazolin-4-one Traditional Name: 2-[(4-benzylpiperazino)methyl]-3-(2,4-dimethoxyphenyl)-6-nitro-quinazolin-4-one Formula: C28H29N5O5 MolecularWeight: 515.56036

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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)CC5=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)CC5=CC=CC=C5)OC

InChI

InChI=1S/C28H29N5O5/c1-37-22-9-11-25(26(17-22)38-2)32-27(29-24-10-8-21(33(35)36)16-23(24)28(32)34)19-31-14-12-30(13-15-31)18-20-6-4-3-5-7-20/h3-11,16-17H,12-15,18-19H2,1-2H3