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

Systemtic Name: 4-[4-[3-(dimethylamino)propylamino]-3-nitro-phenyl]-2H-phthalazin-1-one Openeye Name: 4-[4-[3-(dimethylamino)propylamino]-3-nitro-phenyl]-2H-phthalazin-1-one CAS Name: 4-[4-[3-(dimethylamino)propylamino]-3-nitrophenyl]-2H-phthalazin-1-one IUPAC Name: 4-[4-[3-(dimethylamino)propylamino]-3-nitrophenyl]-2H-phthalazin-1-one Traditional Name: 4-[4-[3-(dimethylamino)propylamino]-3-nitro-phenyl]-2H-phthalazin-1-one Formula: C19H21N5O3 MolecularWeight: 367.40174

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCNC1=C(C=C(C=C1)C2=NNC(=O)C3=CC=CC=C32)[N+](=O)[O-]

Isomeric SMILES

CN(C)CCCNC1=C(C=C(C=C1)C2=NNC(=O)C3=CC=CC=C32)[N+](=O)[O-]

InChI

InChI=1S/C19H21N5O3/c1-23(2)11-5-10-20-16-9-8-13(12-17(16)24(26)27)18-14-6-3-4-7-15(14)19(25)22-21-18/h3-4,6-9,12,20H,5,10-11H2,1-2H3,(H,22,25)