4-[3,4-dihydro-1H-isoquinolin-2-yl-(1-phenethyl-1,2,3,4-tetrazol-5-yl)methyl]benzenecarbonitrile

Systemtic Name: 4-[3,4-dihydro-1H-isoquinolin-2-yl-(1-phenethyl-1,2,3,4-tetrazol-5-yl)methyl]benzenecarbonitrile Openeye Name: 4-[3,4-dihydro-1H-isoquinolin-2-yl-(1-phenethyltetrazol-5-yl)methyl]benzonitrile CAS Name: 4-[3,4-dihydro-1H-isoquinolin-2-yl-(1-phenethyl-5-tetrazolyl)methyl]benzonitrile IUPAC Name: 4-[3,4-dihydro-1H-isoquinolin-2-yl-(1-phenethyltetrazol-5-yl)methyl]benzonitrile Traditional Name: 4-[3,4-dihydro-1H-isoquinolin-2-yl-(1-phenethyltetrazol-5-yl)methyl]benzonitrile Formula: C26H24N6 MolecularWeight: 420.50896

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(C3=CC=C(C=C3)C#N)C4=NN=NN4CCC5=CC=CC=C5

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(C3=CC=C(C=C3)C#N)C4=NN=NN4CCC5=CC=CC=C5

InChI

InChI=1S/C26H24N6/c27-18-21-10-12-23(13-11-21)25(31-16-15-22-8-4-5-9-24(22)19-31)26-28-29-30-32(26)17-14-20-6-2-1-3-7-20/h1-13,25H,14-17,19H2