2-[4-(1-benzothiophen-2-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]quinoxaline

Systemtic Name: 2-[4-(1-benzothiophen-2-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]quinoxaline Openeye Name: 2-[4-(benzothiophen-2-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]quinoxaline CAS Name: 2-[4-(1-benzothiophen-2-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]quinoxaline IUPAC Name: 2-[4-(1-benzothiophen-2-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]quinoxaline Traditional Name: 2-[4-(benzothiophen-2-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]quinoxaline Formula: C26H21N3S MolecularWeight: 407.53004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CC(C2=C(C1)C=C(C=C2)C3=NC4=CC=CC=C4N=C3)C5=CC6=CC=CC=C6S5

Isomeric SMILES

CN1CC(C2=C(C1)C=C(C=C2)C3=NC4=CC=CC=C4N=C3)C5=CC6=CC=CC=C6S5

InChI

InChI=1S/C26H21N3S/c1-29-15-19-12-17(24-14-27-22-7-3-4-8-23(22)28-24)10-11-20(19)21(16-29)26-13-18-6-2-5-9-25(18)30-26/h2-14,21H,15-16H2,1H3