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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C3=CC(=C(C=C3)NC4CCCCC4)[N+](=O)[O-]

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C3=CC(=C(C=C3)NC4CCCCC4)[N+](=O)[O-]

InChI

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