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

Systemtic Name: 4-[4-[cyclohexyl(methyl)amino]-3-nitro-phenyl]-2-methyl-phthalazin-1-one Openeye Name: 4-[4-[cyclohexyl(methyl)amino]-3-nitro-phenyl]-2-methyl-phthalazin-1-one CAS Name: 4-[4-[cyclohexyl(methyl)amino]-3-nitrophenyl]-2-methyl-1-phthalazinone IUPAC Name: 4-[4-[cyclohexyl(methyl)amino]-3-nitrophenyl]-2-methylphthalazin-1-one Traditional Name: 4-[4-[cyclohexyl(methyl)amino]-3-nitro-phenyl]-2-methyl-phthalazin-1-one Formula: C22H24N4O3 MolecularWeight: 392.45096

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C3=CC(=C(C=C3)N(C)C4CCCCC4)[N+](=O)[O-]

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C3=CC(=C(C=C3)N(C)C4CCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C22H24N4O3/c1-24(16-8-4-3-5-9-16)19-13-12-15(14-20(19)26(28)29)21-17-10-6-7-11-18(17)22(27)25(2)23-21/h6-7,10-14,16H,3-5,8-9H2,1-2H3