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

Systemtic Name: 4-[4-(4-butylpiperidin-1-yl)-3-nitro-phenyl]-2H-phthalazin-1-one Openeye Name: 4-[4-(4-butyl-1-piperidyl)-3-nitro-phenyl]-2H-phthalazin-1-one CAS Name: 4-[4-(4-butyl-1-piperidinyl)-3-nitrophenyl]-2H-phthalazin-1-one IUPAC Name: 4-[4-(4-butylpiperidin-1-yl)-3-nitrophenyl]-2H-phthalazin-1-one Traditional Name: 4-[4-(4-butylpiperidino)-3-nitro-phenyl]-2H-phthalazin-1-one Formula: C23H26N4O3 MolecularWeight: 406.47754

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCN(CC1)C2=C(C=C(C=C2)C3=NNC(=O)C4=CC=CC=C43)[N+](=O)[O-]

Isomeric SMILES

CCCCC1CCN(CC1)C2=C(C=C(C=C2)C3=NNC(=O)C4=CC=CC=C43)[N+](=O)[O-]

InChI

InChI=1S/C23H26N4O3/c1-2-3-6-16-11-13-26(14-12-16)20-10-9-17(15-21(20)27(29)30)22-18-7-4-5-8-19(18)23(28)25-24-22/h4-5,7-10,15-16H,2-3,6,11-14H2,1H3,(H,25,28)