4-[2-[4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]piperidin-1-yl]-2-oxidanylidene-ethyl]-2H-phthalazin-1-one

Systemtic Name: 4-[2-[4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]piperidin-1-yl]-2-oxidanylidene-ethyl]-2H-phthalazin-1-one Openeye Name: 4-[2-[4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]-1-piperidyl]-2-oxo-ethyl]-2H-phthalazin-1-one CAS Name: 4-[2-[4-[1-(1-benzotriazolylmethyl)-2-imidazolyl]-1-piperidinyl]-2-oxoethyl]-2H-phthalazin-1-one IUPAC Name: 4-[2-[4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]piperidin-1-yl]-2-oxoethyl]-2H-phthalazin-1-one Traditional Name: 4-[2-[4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]piperidino]-2-keto-ethyl]-2H-phthalazin-1-one Formula: C25H24N8O2 MolecularWeight: 468.51046

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC=CN2CN3C4=CC=CC=C4N=N3)C(=O)CC5=NNC(=O)C6=CC=CC=C65

Isomeric SMILES

C1CN(CCC1C2=NC=CN2CN3C4=CC=CC=C4N=N3)C(=O)CC5=NNC(=O)C6=CC=CC=C65

InChI

InChI=1S/C25H24N8O2/c34-23(15-21-18-5-1-2-6-19(18)25(35)29-27-21)31-12-9-17(10-13-31)24-26-11-14-32(24)16-33-22-8-4-3-7-20(22)28-30-33/h1-8,11,14,17H,9-10,12-13,15-16H2,(H,29,35)