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

Systemtic Name: 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-4-phenyl-1,2,3,4-tetrazol-5-one Openeye Name: 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-4-phenyl-tetrazol-5-one CAS Name: 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-4-phenyl-5-tetrazolone IUPAC Name: 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-4-phenyltetrazol-5-one Traditional Name: 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]-4-phenyl-tetrazol-5-one Formula: C18H17N5O2 MolecularWeight: 335.35988

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)CN3C(=O)N(N=N3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)CN3C(=O)N(N=N3)C4=CC=CC=C4

InChI

InChI=1S/C18H17N5O2/c24-17(21-11-10-14-6-4-5-7-15(14)12-21)13-22-18(25)23(20-19-22)16-8-2-1-3-9-16/h1-9H,10-13H2