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

Systemtic Name: 2-[2-oxidanylidene-2-[4-(5-phenyl-1,2,3,4-tetrazol-2-yl)piperidin-1-yl]ethyl]phthalazin-1-one Openeye Name: 2-[2-oxo-2-[4-(5-phenyltetrazol-2-yl)-1-piperidyl]ethyl]phthalazin-1-one CAS Name: 2-[2-oxo-2-[4-(5-phenyl-2-tetrazolyl)-1-piperidinyl]ethyl]-1-phthalazinone IUPAC Name: 2-[2-oxo-2-[4-(5-phenyltetrazol-2-yl)piperidin-1-yl]ethyl]phthalazin-1-one Traditional Name: 2-[2-keto-2-[4-(5-phenyltetrazol-2-yl)piperidino]ethyl]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)CN4C(=O)C5=CC=CC=C5C=N4

Isomeric SMILES

C1CN(CCC1N2N=C(N=N2)C3=CC=CC=C3)C(=O)CN4C(=O)C5=CC=CC=C5C=N4

InChI

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