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

Systemtic Name: 3-(3-methoxyphenyl)-6-nitro-2-[[4-(phenylmethyl)piperazin-1-yl]methyl]quinazolin-4-one Openeye Name: 2-[(4-benzylpiperazin-1-yl)methyl]-3-(3-methoxyphenyl)-6-nitro-quinazolin-4-one CAS Name: 3-(3-methoxyphenyl)-6-nitro-2-[[4-(phenylmethyl)-1-piperazinyl]methyl]-4-quinazolinone IUPAC Name: 2-[(4-benzylpiperazin-1-yl)methyl]-3-(3-methoxyphenyl)-6-nitroquinazolin-4-one Traditional Name: 2-[(4-benzylpiperazino)methyl]-3-(3-methoxyphenyl)-6-nitro-quinazolin-4-one Formula: C27H27N5O4 MolecularWeight: 485.53438

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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)CC5=CC=CC=C5

Isomeric SMILES

COC1=CC=CC(=C1)N2C(=NC3=C(C2=O)C=C(C=C3)[N+](=O)[O-])CN4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C27H27N5O4/c1-36-23-9-5-8-21(16-23)31-26(28-25-11-10-22(32(34)35)17-24(25)27(31)33)19-30-14-12-29(13-15-30)18-20-6-3-2-4-7-20/h2-11,16-17H,12-15,18-19H2,1H3