11-[2-(4-methoxyphenyl)-1-pyrrolidin-2-yl-propyl]-6H-benzo[c][1,5]benzothiazepine

Systemtic Name: 11-[2-(4-methoxyphenyl)-1-pyrrolidin-2-yl-propyl]-6H-benzo[c][1,5]benzothiazepine Openeye Name: 11-[2-(4-methoxyphenyl)-1-pyrrolidin-2-yl-propyl]-6H-benzo[c][1,5]benzothiazepine CAS Name: 11-[2-(4-methoxyphenyl)-1-(2-pyrrolidinyl)propyl]-6H-benzo[c][1,5]benzothiazepine IUPAC Name: 11-[2-(4-methoxyphenyl)-1-pyrrolidin-2-ylpropyl]-6H-benzo[c][1,5]benzothiazepine Traditional Name: 11-[2-(4-methoxyphenyl)-1-pyrrolidin-2-yl-propyl]-6H-benzo[c][1,5]benzothiazepine Formula: C27H30N2OS MolecularWeight: 430.6049

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)OC)C(C2CCCN2)N3C4=CC=CC=C4CSC5=CC=CC=C53

Isomeric SMILES

CC(C1=CC=C(C=C1)OC)C(C2CCCN2)N3C4=CC=CC=C4CSC5=CC=CC=C53

InChI

InChI=1S/C27H30N2OS/c1-19(20-13-15-22(30-2)16-14-20)27(23-9-7-17-28-23)29-24-10-4-3-8-21(24)18-31-26-12-6-5-11-25(26)29/h3-6,8,10-16,19,23,27-28H,7,9,17-18H2,1-2H3