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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC(C2=C(C1)C=C(C=C2)C3=CC4=CC=CC=C4N=N3)C5=CC6=CC=CC=C6S5

Isomeric SMILES

CN1CC(C2=C(C1)C=C(C=C2)C3=CC4=CC=CC=C4N=N3)C5=CC6=CC=CC=C6S5

InChI

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