4-[2-oxidanylidene-2-[4-(5-phenyl-1,2,3,4-tetrazol-2-yl)piperidin-1-yl]ethyl]-2H-phthalazin-1-one

Systemtic Name: 4-[2-oxidanylidene-2-[4-(5-phenyl-1,2,3,4-tetrazol-2-yl)piperidin-1-yl]ethyl]-2H-phthalazin-1-one Openeye Name: 4-[2-oxo-2-[4-(5-phenyltetrazol-2-yl)-1-piperidyl]ethyl]-2H-phthalazin-1-one CAS Name: 4-[2-oxo-2-[4-(5-phenyl-2-tetrazolyl)-1-piperidinyl]ethyl]-2H-phthalazin-1-one IUPAC Name: 4-[2-oxo-2-[4-(5-phenyltetrazol-2-yl)piperidin-1-yl]ethyl]-2H-phthalazin-1-one Traditional Name: 4-[2-keto-2-[4-(5-phenyltetrazol-2-yl)piperidino]ethyl]-2H-phthalazin-1-one Formula: C22H21N7O2 MolecularWeight: 415.44784

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2N=C(N=N2)C3=CC=CC=C3)C(=O)CC4=NNC(=O)C5=CC=CC=C54

Isomeric SMILES

C1CN(CCC1N2N=C(N=N2)C3=CC=CC=C3)C(=O)CC4=NNC(=O)C5=CC=CC=C54

InChI

InChI=1S/C22H21N7O2/c30-20(14-19-17-8-4-5-9-18(17)22(31)25-23-19)28-12-10-16(11-13-28)29-26-21(24-27-29)15-6-2-1-3-7-15/h1-9,16H,10-14H2,(H,25,31)