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

Systemtic Name: 4-methyl-2-[2-oxidanylidene-2-[4-(5-phenyl-1,2,3,4-tetrazol-2-yl)piperidin-1-yl]ethyl]phthalazin-1-one Openeye Name: 4-methyl-2-[2-oxo-2-[4-(5-phenyltetrazol-2-yl)-1-piperidyl]ethyl]phthalazin-1-one CAS Name: 4-methyl-2-[2-oxo-2-[4-(5-phenyl-2-tetrazolyl)-1-piperidinyl]ethyl]-1-phthalazinone IUPAC Name: 4-methyl-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]-4-methyl-phthalazin-1-one Formula: C23H23N7O2 MolecularWeight: 429.47442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C2=CC=CC=C12)CC(=O)N3CCC(CC3)N4N=C(N=N4)C5=CC=CC=C5

Isomeric SMILES

CC1=NN(C(=O)C2=CC=CC=C12)CC(=O)N3CCC(CC3)N4N=C(N=N4)C5=CC=CC=C5

InChI

InChI=1S/C23H23N7O2/c1-16-19-9-5-6-10-20(19)23(32)29(25-16)15-21(31)28-13-11-18(12-14-28)30-26-22(24-27-30)17-7-3-2-4-8-17/h2-10,18H,11-15H2,1H3