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

Systemtic Name: 4-[3-nitro-4-[4-(phenylmethyl)piperidin-1-yl]phenyl]-2H-phthalazin-1-one Openeye Name: 4-[4-(4-benzyl-1-piperidyl)-3-nitro-phenyl]-2H-phthalazin-1-one CAS Name: 4-[3-nitro-4-[4-(phenylmethyl)-1-piperidinyl]phenyl]-2H-phthalazin-1-one IUPAC Name: 4-[4-(4-benzylpiperidin-1-yl)-3-nitrophenyl]-2H-phthalazin-1-one Traditional Name: 4-[4-(4-benzylpiperidino)-3-nitro-phenyl]-2H-phthalazin-1-one Formula: C26H24N4O3 MolecularWeight: 440.49376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C3=C(C=C(C=C3)C4=NNC(=O)C5=CC=CC=C54)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C3=C(C=C(C=C3)C4=NNC(=O)C5=CC=CC=C54)[N+](=O)[O-]

InChI

InChI=1S/C26H24N4O3/c31-26-22-9-5-4-8-21(22)25(27-28-26)20-10-11-23(24(17-20)30(32)33)29-14-12-19(13-15-29)16-18-6-2-1-3-7-18/h1-11,17,19H,12-16H2,(H,28,31)