6-chloranyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-yl-ethyl)-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide

Systemtic Name: 6-chloranyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-yl-ethyl)-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Openeye Name: 6-chloro-N-[2-pyrrolidin-1-yl-2-(2-thienyl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide CAS Name: 6-chloro-N-[2-(1-pyrrolidinyl)-2-thiophen-2-ylethyl]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide IUPAC Name: 6-chloro-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Traditional Name: 6-chloro-N-[2-pyrrolidino-2-(2-thienyl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide Formula: C20H23ClN2O3S MolecularWeight: 406.92622

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(CNC(=O)C2=CC3=C(C(=C2)Cl)OCCCO3)C4=CC=CS4

Isomeric SMILES

C1CCN(C1)C(CNC(=O)C2=CC3=C(C(=C2)Cl)OCCCO3)C4=CC=CS4

InChI

InChI=1S/C20H23ClN2O3S/c21-15-11-14(12-17-19(15)26-9-4-8-25-17)20(24)22-13-16(18-5-3-10-27-18)23-6-1-2-7-23/h3,5,10-12,16H,1-2,4,6-9,13H2,(H,22,24)