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

Systemtic Name: 2-methyl-4-[3-nitro-4-[(phenylmethyl)amino]phenyl]phthalazin-1-one Openeye Name: 4-[4-(benzylamino)-3-nitro-phenyl]-2-methyl-phthalazin-1-one CAS Name: 2-methyl-4-[3-nitro-4-[(phenylmethyl)amino]phenyl]-1-phthalazinone IUPAC Name: 4-[4-(benzylamino)-3-nitrophenyl]-2-methylphthalazin-1-one Traditional Name: 4-[4-(benzylamino)-3-nitro-phenyl]-2-methyl-phthalazin-1-one Formula: C22H18N4O3 MolecularWeight: 386.40332

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C3=CC(=C(C=C3)NCC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C3=CC(=C(C=C3)NCC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H18N4O3/c1-25-22(27)18-10-6-5-9-17(18)21(24-25)16-11-12-19(20(13-16)26(28)29)23-14-15-7-3-2-4-8-15/h2-13,23H,14H2,1H3