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

Systemtic Name: 2-methyl-4-[3-nitro-4-[4-(phenylmethyl)piperidin-1-yl]phenyl]phthalazin-1-one Openeye Name: 4-[4-(4-benzyl-1-piperidyl)-3-nitro-phenyl]-2-methyl-phthalazin-1-one CAS Name: 2-methyl-4-[3-nitro-4-[4-(phenylmethyl)-1-piperidinyl]phenyl]-1-phthalazinone IUPAC Name: 4-[4-(4-benzylpiperidin-1-yl)-3-nitrophenyl]-2-methylphthalazin-1-one Traditional Name: 4-[4-(4-benzylpiperidino)-3-nitro-phenyl]-2-methyl-phthalazin-1-one Formula: C27H26N4O3 MolecularWeight: 454.52034

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C3=CC(=C(C=C3)N4CCC(CC4)CC5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C3=CC(=C(C=C3)N4CCC(CC4)CC5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C27H26N4O3/c1-29-27(32)23-10-6-5-9-22(23)26(28-29)21-11-12-24(25(18-21)31(33)34)30-15-13-20(14-16-30)17-19-7-3-2-4-8-19/h2-12,18,20H,13-17H2,1H3