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

Systemtic Name: 4-[4-[cyclohexyl(methyl)amino]-3-nitro-phenyl]-2H-phthalazin-1-one Openeye Name: 4-[4-[cyclohexyl(methyl)amino]-3-nitro-phenyl]-2H-phthalazin-1-one CAS Name: 4-[4-[cyclohexyl(methyl)amino]-3-nitrophenyl]-2H-phthalazin-1-one IUPAC Name: 4-[4-[cyclohexyl(methyl)amino]-3-nitrophenyl]-2H-phthalazin-1-one Traditional Name: 4-[4-[cyclohexyl(methyl)amino]-3-nitro-phenyl]-2H-phthalazin-1-one Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCCC1)C2=C(C=C(C=C2)C3=NNC(=O)C4=CC=CC=C43)[N+](=O)[O-]

Isomeric SMILES

CN(C1CCCCC1)C2=C(C=C(C=C2)C3=NNC(=O)C4=CC=CC=C43)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O3/c1-24(15-7-3-2-4-8-15)18-12-11-14(13-19(18)25(27)28)20-16-9-5-6-10-17(16)21(26)23-22-20/h5-6,9-13,15H,2-4,7-8H2,1H3,(H,23,26)