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

Systemtic Name: 3-(3-methoxyphenyl)-2-[[3-methyl-4-(4-methylphenyl)piperazin-1-yl]methyl]-6-nitro-quinazolin-4-one Openeye Name: 3-(3-methoxyphenyl)-2-[[3-methyl-4-(p-tolyl)piperazin-1-yl]methyl]-6-nitro-quinazolin-4-one CAS Name: 3-(3-methoxyphenyl)-2-[[3-methyl-4-(4-methylphenyl)-1-piperazinyl]methyl]-6-nitro-4-quinazolinone IUPAC Name: 3-(3-methoxyphenyl)-2-[[3-methyl-4-(4-methylphenyl)piperazin-1-yl]methyl]-6-nitroquinazolin-4-one Traditional Name: 3-(3-methoxyphenyl)-2-[[3-methyl-4-(p-tolyl)piperazino]methyl]-6-nitro-quinazolin-4-one Formula: C28H29N5O4 MolecularWeight: 499.56096

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C2=CC=C(C=C2)C)CC3=NC4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N3C5=CC(=CC=C5)OC

Isomeric SMILES

CC1CN(CCN1C2=CC=C(C=C2)C)CC3=NC4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N3C5=CC(=CC=C5)OC

InChI

InChI=1S/C28H29N5O4/c1-19-7-9-21(10-8-19)31-14-13-30(17-20(31)2)18-27-29-26-12-11-23(33(35)36)16-25(26)28(34)32(27)22-5-4-6-24(15-22)37-3/h4-12,15-16,20H,13-14,17-18H2,1-3H3