4-[3,4-dihydro-1H-isoquinolin-2-yl-[1-(2-methylbutan-2-yl)-1,2,3,4-tetrazol-5-yl]methyl]phenol hydrochloride

Systemtic Name: 4-[3,4-dihydro-1H-isoquinolin-2-yl-[1-(2-methylbutan-2-yl)-1,2,3,4-tetrazol-5-yl]methyl]phenol hydrochloride Openeye Name: 4-[3,4-dihydro-1H-isoquinolin-2-yl-[1-(1,1-dimethylpropyl)tetrazol-5-yl]methyl]phenol hydrochloride CAS Name: 4-[3,4-dihydro-1H-isoquinolin-2-yl-[1-(2-methylbutan-2-yl)-5-tetrazolyl]methyl]phenol hydrochloride IUPAC Name: 4-[3,4-dihydro-1H-isoquinolin-2-yl-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]phenol hydrochloride Traditional Name: 4-[(1-tert-amyltetrazol-5-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenol hydrochloride Formula: C22H28ClN5O MolecularWeight: 413.94362

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)N1C(=NN=N1)C(C2=CC=C(C=C2)O)N3CCC4=CC=CC=C4C3.Cl

Isomeric SMILES

CCC(C)(C)N1C(=NN=N1)C(C2=CC=C(C=C2)O)N3CCC4=CC=CC=C4C3.Cl

InChI

InChI=1S/C22H27N5O.ClH/c1-4-22(2,3)27-21(23-24-25-27)20(17-9-11-19(28)12-10-17)26-14-13-16-7-5-6-8-18(16)15-26;/h5-12,20,28H,4,13-15H2,1-3H3;1H