4-[4-(2-ethylpiperidin-1-yl)-3-nitro-phenyl]-2H-phthalazin-1-one

Systemtic Name: 4-[4-(2-ethylpiperidin-1-yl)-3-nitro-phenyl]-2H-phthalazin-1-one Openeye Name: 4-[4-(2-ethyl-1-piperidyl)-3-nitro-phenyl]-2H-phthalazin-1-one CAS Name: 4-[4-(2-ethyl-1-piperidinyl)-3-nitrophenyl]-2H-phthalazin-1-one IUPAC Name: 4-[4-(2-ethylpiperidin-1-yl)-3-nitrophenyl]-2H-phthalazin-1-one Traditional Name: 4-[4-(2-ethylpiperidino)-3-nitro-phenyl]-2H-phthalazin-1-one Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C2=C(C=C(C=C2)C3=NNC(=O)C4=CC=CC=C43)[N+](=O)[O-]

Isomeric SMILES

CCC1CCCCN1C2=C(C=C(C=C2)C3=NNC(=O)C4=CC=CC=C43)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O3/c1-2-15-7-5-6-12-24(15)18-11-10-14(13-19(18)25(27)28)20-16-8-3-4-9-17(16)21(26)23-22-20/h3-4,8-11,13,15H,2,5-7,12H2,1H3,(H,23,26)