6,7,10-trimethyl-N-(2-pyrrolidin-1-ylethyl)benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: 6,7,10-trimethyl-N-(2-pyrrolidin-1-ylethyl)benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 6,7,10-trimethyl-N-(2-pyrrolidin-1-ylethyl)benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 6,7,10-trimethyl-N-[2-(1-pyrrolidinyl)ethyl]-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 6,7,10-trimethyl-N-(2-pyrrolidin-1-ylethyl)benzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 6,7,10-trimethyl-N-(2-pyrrolidinoethyl)benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C23H27N3OS MolecularWeight: 393.54498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=NC3=C(C=CC(=C3)C(=O)NCCN4CCCC4)SC2=C(C=C1)C)C

Isomeric SMILES

CC1=C2C(=NC3=C(C=CC(=C3)C(=O)NCCN4CCCC4)SC2=C(C=C1)C)C

InChI

InChI=1S/C23H27N3OS/c1-15-6-7-16(2)22-21(15)17(3)25-19-14-18(8-9-20(19)28-22)23(27)24-10-13-26-11-4-5-12-26/h6-9,14H,4-5,10-13H2,1-3H3,(H,24,27)