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

Systemtic Name: 2-methyl-4-[3-nitro-4-(pyridin-3-ylmethylamino)phenyl]phthalazin-1-one Openeye Name: 2-methyl-4-[3-nitro-4-(3-pyridylmethylamino)phenyl]phthalazin-1-one CAS Name: 2-methyl-4-[3-nitro-4-(3-pyridinylmethylamino)phenyl]-1-phthalazinone IUPAC Name: 2-methyl-4-[3-nitro-4-(pyridin-3-ylmethylamino)phenyl]phthalazin-1-one Traditional Name: 2-methyl-4-[3-nitro-4-(3-pyridylmethylamino)phenyl]phthalazin-1-one Formula: C21H17N5O3 MolecularWeight: 387.39138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17N5O3/c1-25-21(27)17-7-3-2-6-16(17)20(24-25)15-8-9-18(19(11-15)26(28)29)23-13-14-5-4-10-22-12-14/h2-12,23H,13H2,1H3