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

Systemtic Name: 2-methyl-4-[4-(4-methylpiperidin-1-yl)-3-nitro-phenyl]phthalazin-1-one Openeye Name: 2-methyl-4-[4-(4-methyl-1-piperidyl)-3-nitro-phenyl]phthalazin-1-one CAS Name: 2-methyl-4-[4-(4-methyl-1-piperidinyl)-3-nitrophenyl]-1-phthalazinone IUPAC Name: 2-methyl-4-[4-(4-methylpiperidin-1-yl)-3-nitrophenyl]phthalazin-1-one Traditional Name: 2-methyl-4-[4-(4-methylpiperidino)-3-nitro-phenyl]phthalazin-1-one Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)C3=NN(C(=O)C4=CC=CC=C43)C)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)C3=NN(C(=O)C4=CC=CC=C43)C)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O3/c1-14-9-11-24(12-10-14)18-8-7-15(13-19(18)25(27)28)20-16-5-3-4-6-17(16)21(26)23(2)22-20/h3-8,13-14H,9-12H2,1-2H3