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

Systemtic Name: 4-[3-nitro-4-(pyridin-3-ylmethylamino)phenyl]-2H-phthalazin-1-one Openeye Name: 4-[3-nitro-4-(3-pyridylmethylamino)phenyl]-2H-phthalazin-1-one CAS Name: 4-[3-nitro-4-(3-pyridinylmethylamino)phenyl]-2H-phthalazin-1-one IUPAC Name: 4-[3-nitro-4-(pyridin-3-ylmethylamino)phenyl]-2H-phthalazin-1-one Traditional Name: 4-[3-nitro-4-(3-pyridylmethylamino)phenyl]-2H-phthalazin-1-one Formula: C20H15N5O3 MolecularWeight: 373.3648

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NNC2=O)C3=CC(=C(C=C3)NCC4=CN=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=NNC2=O)C3=CC(=C(C=C3)NCC4=CN=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H15N5O3/c26-20-16-6-2-1-5-15(16)19(23-24-20)14-7-8-17(18(10-14)25(27)28)22-12-13-4-3-9-21-11-13/h1-11,22H,12H2,(H,24,26)