4-[[4-(4-methoxy-3-nitro-phenyl)phthalazin-1-yl]amino]-N-(2-methylphenyl)benzamide

Systemtic Name: 4-[[4-(4-methoxy-3-nitro-phenyl)phthalazin-1-yl]amino]-N-(2-methylphenyl)benzamide Openeye Name: 4-[[4-(4-methoxy-3-nitro-phenyl)phthalazin-1-yl]amino]-N-(o-tolyl)benzamide CAS Name: 4-[[4-(4-methoxy-3-nitrophenyl)-1-phthalazinyl]amino]-N-(2-methylphenyl)benzamide IUPAC Name: 4-[[4-(4-methoxy-3-nitrophenyl)phthalazin-1-yl]amino]-N-(2-methylphenyl)benzamide Traditional Name: 4-[[4-(4-methoxy-3-nitro-phenyl)phthalazin-1-yl]amino]-N-(o-tolyl)benzamide Formula: C29H23N5O4 MolecularWeight: 505.52402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)NC3=NN=C(C4=CC=CC=C43)C5=CC(=C(C=C5)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)NC3=NN=C(C4=CC=CC=C43)C5=CC(=C(C=C5)OC)[N+](=O)[O-]

InChI

InChI=1S/C29H23N5O4/c1-18-7-3-6-10-24(18)31-29(35)19-11-14-21(15-12-19)30-28-23-9-5-4-8-22(23)27(32-33-28)20-13-16-26(38-2)25(17-20)34(36)37/h3-17H,1-2H3,(H,30,33)(H,31,35)