1-[(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-4-phenyl-1,2,3,4-tetrazol-5-one

Systemtic Name: 1-[(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-4-phenyl-1,2,3,4-tetrazol-5-one Openeye Name: 1-[(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-4-phenyl-tetrazol-5-one CAS Name: 1-[(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-4-phenyl-5-tetrazolone IUPAC Name: 1-[(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-4-phenyltetrazol-5-one Traditional Name: 1-[(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-4-phenyl-tetrazol-5-one Formula: C21H25N5O3 MolecularWeight: 395.4549

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2CN(CCC2=C1)CN3C(=O)N(N=N3)C4=CC=CC=C4)OCC

Isomeric SMILES

CCOC1=C(C=C2CN(CCC2=C1)CN3C(=O)N(N=N3)C4=CC=CC=C4)OCC

InChI

InChI=1S/C21H25N5O3/c1-3-28-19-12-16-10-11-24(14-17(16)13-20(19)29-4-2)15-25-21(27)26(23-22-25)18-8-6-5-7-9-18/h5-9,12-13H,3-4,10-11,14-15H2,1-2H3