2-methoxy-11-(2-pyrrolidin-1-ylethyl)-6H-benzo[c][1]benzothiepine-11-carboxamide

Systemtic Name: 2-methoxy-11-(2-pyrrolidin-1-ylethyl)-6H-benzo[c][1]benzothiepine-11-carboxamide Openeye Name: 2-methoxy-11-(2-pyrrolidin-1-ylethyl)-6H-benzo[c][1]benzothiepine-11-carboxamide CAS Name: 2-methoxy-11-[2-(1-pyrrolidinyl)ethyl]-6H-benzo[c][1]benzothiepin-11-carboxamide IUPAC Name: 2-methoxy-11-(2-pyrrolidin-1-ylethyl)-6H-benzo[c][1]benzothiepine-11-carboxamide Traditional Name: 2-methoxy-11-(2-pyrrolidinoethyl)-6H-benzo[c][1]benzothiepin-11-carboxamide Formula: C22H26N2O2S MolecularWeight: 382.51904

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)SCC3=CC=CC=C3C2(CCN4CCCC4)C(=O)N

Isomeric SMILES

COC1=CC2=C(C=C1)SCC3=CC=CC=C3C2(CCN4CCCC4)C(=O)N

InChI

InChI=1S/C22H26N2O2S/c1-26-17-8-9-20-19(14-17)22(21(23)25,10-13-24-11-4-5-12-24)18-7-3-2-6-16(18)15-27-20/h2-3,6-9,14H,4-5,10-13,15H2,1H3,(H2,23,25)