11-[[1-(2-pyridin-2-ylethyl)pyrrolidin-2-yl]methyl]-6H-benzo[c][1,5]benzothiazepine

Systemtic Name: 11-[[1-(2-pyridin-2-ylethyl)pyrrolidin-2-yl]methyl]-6H-benzo[c][1,5]benzothiazepine Openeye Name: 11-[[1-[2-(2-pyridyl)ethyl]pyrrolidin-2-yl]methyl]-6H-benzo[c][1,5]benzothiazepine CAS Name: 11-[[1-[2-(2-pyridinyl)ethyl]-2-pyrrolidinyl]methyl]-6H-benzo[c][1,5]benzothiazepine IUPAC Name: 11-[[1-(2-pyridin-2-ylethyl)pyrrolidin-2-yl]methyl]-6H-benzo[c][1,5]benzothiazepine Traditional Name: 11-[[1-[2-(2-pyridyl)ethyl]pyrrolidin-2-yl]methyl]-6H-benzo[c][1,5]benzothiazepine Formula: C25H27N3S MolecularWeight: 401.56698

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)CCC2=CC=CC=N2)CN3C4=CC=CC=C4CSC5=CC=CC=C53

Isomeric SMILES

C1CC(N(C1)CCC2=CC=CC=N2)CN3C4=CC=CC=C4CSC5=CC=CC=C53

InChI

InChI=1S/C25H27N3S/c1-2-11-23-20(8-1)19-29-25-13-4-3-12-24(25)28(23)18-22-10-7-16-27(22)17-14-21-9-5-6-15-26-21/h1-6,8-9,11-13,15,22H,7,10,14,16-19H2