3,4-dihydro-1H-isoquinolin-2-yl-(6,7,10-trimethylbenzo[b][1,4]benzothiazepin-3-yl)methanone

Systemtic Name: 3,4-dihydro-1H-isoquinolin-2-yl-(6,7,10-trimethylbenzo[b][1,4]benzothiazepin-3-yl)methanone Openeye Name: 3,4-dihydro-1H-isoquinolin-2-yl-(6,7,10-trimethylbenzo[b][1,4]benzothiazepin-3-yl)methanone CAS Name: 3,4-dihydro-1H-isoquinolin-2-yl-(6,7,10-trimethyl-3-benzo[b][1,4]benzothiazepinyl)methanone IUPAC Name: 3,4-dihydro-1H-isoquinolin-2-yl-(6,7,10-trimethylbenzo[b][1,4]benzothiazepin-3-yl)methanone Traditional Name: 3,4-dihydro-1H-isoquinolin-2-yl-(6,7,10-trimethylbenzo[b][1,4]benzothiazepin-3-yl)methanone Formula: C26H24N2OS MolecularWeight: 412.54656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=NC3=C(C=CC(=C3)C(=O)N4CCC5=CC=CC=C5C4)SC2=C(C=C1)C)C

Isomeric SMILES

CC1=C2C(=NC3=C(C=CC(=C3)C(=O)N4CCC5=CC=CC=C5C4)SC2=C(C=C1)C)C

InChI

InChI=1S/C26H24N2OS/c1-16-8-9-17(2)25-24(16)18(3)27-22-14-20(10-11-23(22)30-25)26(29)28-13-12-19-6-4-5-7-21(19)15-28/h4-11,14H,12-13,15H2,1-3H3