(1S)-1-(benzotriazol-1-ylmethyl)-1,4-dihydroisoquinoline

Systemtic Name: (1S)-1-(benzotriazol-1-ylmethyl)-1,4-dihydroisoquinoline Openeye Name: (1S)-1-(benzotriazol-1-ylmethyl)-1,4-dihydroisoquinoline CAS Name: (1S)-1-(1-benzotriazolylmethyl)-1,4-dihydroisoquinoline IUPAC Name: (1S)-1-(benzotriazol-1-ylmethyl)-1,4-dihydroisoquinoline Traditional Name: (1S)-1-(benzotriazol-1-ylmethyl)-1,4-dihydroisoquinoline Formula: C16H14N4 MolecularWeight: 262.30916

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Descriptors Computed from Structure

Canonical SMILES:

C1C=NC(C2=CC=CC=C21)CN3C4=CC=CC=C4N=N3

Isomeric SMILES

C1C=N[C@@H](C2=CC=CC=C21)CN3C4=CC=CC=C4N=N3

InChI

InChI=1S/C16H14N4/c1-2-6-13-12(5-1)9-10-17-15(13)11-20-16-8-4-3-7-14(16)18-19-20/h1-8,10,15H,9,11H2/t15-/m1/s1