4-(2,5-dimethylphenyl)-2-[[methyl-[(2-nitrophenyl)methyl]amino]methyl]phthalazin-1-one

Systemtic Name: 4-(2,5-dimethylphenyl)-2-[[methyl-[(2-nitrophenyl)methyl]amino]methyl]phthalazin-1-one Openeye Name: 4-(2,5-dimethylphenyl)-2-[[methyl-[(2-nitrophenyl)methyl]amino]methyl]phthalazin-1-one CAS Name: 4-(2,5-dimethylphenyl)-2-[[methyl-[(2-nitrophenyl)methyl]amino]methyl]-1-phthalazinone IUPAC Name: 4-(2,5-dimethylphenyl)-2-[[methyl-[(2-nitrophenyl)methyl]amino]methyl]phthalazin-1-one Traditional Name: 4-(2,5-dimethylphenyl)-2-[[methyl-(2-nitrobenzyl)amino]methyl]phthalazin-1-one Formula: C25H24N4O3 MolecularWeight: 428.48306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C2=NN(C(=O)C3=CC=CC=C32)CN(C)CC4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)C2=NN(C(=O)C3=CC=CC=C32)CN(C)CC4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C25H24N4O3/c1-17-12-13-18(2)22(14-17)24-20-9-5-6-10-21(20)25(30)28(26-24)16-27(3)15-19-8-4-7-11-23(19)29(31)32/h4-14H,15-16H2,1-3H3