4-[4-[3-(dimethylamino)propylamino]-3-nitro-phenyl]-2-methyl-phthalazin-1-one

Systemtic Name: 4-[4-[3-(dimethylamino)propylamino]-3-nitro-phenyl]-2-methyl-phthalazin-1-one Openeye Name: 4-[4-[3-(dimethylamino)propylamino]-3-nitro-phenyl]-2-methyl-phthalazin-1-one CAS Name: 4-[4-[3-(dimethylamino)propylamino]-3-nitrophenyl]-2-methyl-1-phthalazinone IUPAC Name: 4-[4-[3-(dimethylamino)propylamino]-3-nitrophenyl]-2-methylphthalazin-1-one Traditional Name: 4-[4-[3-(dimethylamino)propylamino]-3-nitro-phenyl]-2-methyl-phthalazin-1-one Formula: C20H23N5O3 MolecularWeight: 381.42832

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N5O3/c1-23(2)12-6-11-21-17-10-9-14(13-18(17)25(27)28)19-15-7-4-5-8-16(15)20(26)24(3)22-19/h4-5,7-10,13,21H,6,11-12H2,1-3H3