pyrrolidin-1-yl-(6,7,10-trimethylbenzo[b][1,4]benzothiazepin-3-yl)methanone

Systemtic Name: pyrrolidin-1-yl-(6,7,10-trimethylbenzo[b][1,4]benzothiazepin-3-yl)methanone Openeye Name: pyrrolidin-1-yl-(6,7,10-trimethylbenzo[b][1,4]benzothiazepin-3-yl)methanone CAS Name: 1-pyrrolidinyl-(6,7,10-trimethyl-3-benzo[b][1,4]benzothiazepinyl)methanone IUPAC Name: pyrrolidin-1-yl-(6,7,10-trimethylbenzo[b][1,4]benzothiazepin-3-yl)methanone Traditional Name: pyrrolidino-(6,7,10-trimethylbenzo[b][1,4]benzothiazepin-3-yl)methanone Formula: C21H22N2OS MolecularWeight: 350.47718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=NC3=C(C=CC(=C3)C(=O)N4CCCC4)SC2=C(C=C1)C)C

Isomeric SMILES

CC1=C2C(=NC3=C(C=CC(=C3)C(=O)N4CCCC4)SC2=C(C=C1)C)C

InChI

InChI=1S/C21H22N2OS/c1-13-6-7-14(2)20-19(13)15(3)22-17-12-16(8-9-18(17)25-20)21(24)23-10-4-5-11-23/h6-9,12H,4-5,10-11H2,1-3H3