2-(benzotriazol-1-yl)-1-[(1R)-6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone

Systemtic Name: 2-(benzotriazol-1-yl)-1-[(1R)-6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone Openeye Name: 2-(benzotriazol-1-yl)-1-[(1R)-6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone CAS Name: 2-(1-benzotriazolyl)-1-[(1R)-6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone IUPAC Name: 2-(benzotriazol-1-yl)-1-[(1R)-6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone Traditional Name: 2-(benzotriazol-1-yl)-1-[(1R)-6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone Formula: C23H22N4O3S MolecularWeight: 434.51078

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)C(=O)CN3C4=CC=CC=C4N=N3)C5=CC=CS5)OC

Isomeric SMILES

COC1=C(C=C2[C@@H](N(CCC2=C1)C(=O)CN3C4=CC=CC=C4N=N3)C5=CC=CS5)OC

InChI

InChI=1S/C23H22N4O3S/c1-29-19-12-15-9-10-26(22(28)14-27-18-7-4-3-6-17(18)24-25-27)23(21-8-5-11-31-21)16(15)13-20(19)30-2/h3-8,11-13,23H,9-10,14H2,1-2H3/t23-/m1/s1