3,4-dihydro-1H-isoquinolin-2-yl-(6,8-dimethylbenzo[b][1,4]benzothiazepin-3-yl)methanone

Systemtic Name: 3,4-dihydro-1H-isoquinolin-2-yl-(6,8-dimethylbenzo[b][1,4]benzothiazepin-3-yl)methanone Openeye Name: 3,4-dihydro-1H-isoquinolin-2-yl-(6,8-dimethylbenzo[b][1,4]benzothiazepin-3-yl)methanone CAS Name: 3,4-dihydro-1H-isoquinolin-2-yl-(6,8-dimethyl-3-benzo[b][1,4]benzothiazepinyl)methanone IUPAC Name: 3,4-dihydro-1H-isoquinolin-2-yl-(6,8-dimethylbenzo[b][1,4]benzothiazepin-3-yl)methanone Traditional Name: 3,4-dihydro-1H-isoquinolin-2-yl-(6,8-dimethylbenzo[b][1,4]benzothiazepin-3-yl)methanone Formula: C25H22N2OS MolecularWeight: 398.51998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)SC3=C(C=C(C=C3)C(=O)N4CCC5=CC=CC=C5C4)N=C2C

Isomeric SMILES

CC1=CC2=C(C=C1)SC3=C(C=C(C=C3)C(=O)N4CCC5=CC=CC=C5C4)N=C2C

InChI

InChI=1S/C25H22N2OS/c1-16-7-9-23-21(13-16)17(2)26-22-14-19(8-10-24(22)29-23)25(28)27-12-11-18-5-3-4-6-20(18)15-27/h3-10,13-14H,11-12,15H2,1-2H3