4-[4-[butyl(methyl)amino]-3-nitro-phenyl]-2-methyl-phthalazin-1-one

Systemtic Name: 4-[4-[butyl(methyl)amino]-3-nitro-phenyl]-2-methyl-phthalazin-1-one Openeye Name: 4-[4-[butyl(methyl)amino]-3-nitro-phenyl]-2-methyl-phthalazin-1-one CAS Name: 4-[4-[butyl(methyl)amino]-3-nitrophenyl]-2-methyl-1-phthalazinone IUPAC Name: 4-[4-[butyl(methyl)amino]-3-nitrophenyl]-2-methylphthalazin-1-one Traditional Name: 4-[4-[butyl(methyl)amino]-3-nitro-phenyl]-2-methyl-phthalazin-1-one Formula: C20H22N4O3 MolecularWeight: 366.41368

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)C1=C(C=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)C)[N+](=O)[O-]

Isomeric SMILES

CCCCN(C)C1=C(C=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)C)[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O3/c1-4-5-12-22(2)17-11-10-14(13-18(17)24(26)27)19-15-8-6-7-9-16(15)20(25)23(3)21-19/h6-11,13H,4-5,12H2,1-3H3