3-(1,3-benzodioxol-5-yl)-N-[2-(2-thiophen-3-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethyl]propanamide

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-N-[2-(2-thiophen-3-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethyl]propanamide Openeye Name: 3-(1,3-benzodioxol-5-yl)-N-[2-[2-(3-thienyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethyl]propanamide CAS Name: 3-(1,3-benzodioxol-5-yl)-N-[2-[2-(3-thiophenyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethyl]propanamide IUPAC Name: 3-(1,3-benzodioxol-5-yl)-N-[2-(2-thiophen-3-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethyl]propanamide Traditional Name: 3-(1,3-benzodioxol-5-yl)-N-[2-[2-(3-thienyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethyl]propionamide Formula: C25H26N2O4S MolecularWeight: 450.54994

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2CN1CCNC(=O)CCC3=CC4=C(C=C3)OCO4)C5=CSC=C5

Isomeric SMILES

C1C(OC2=CC=CC=C2CN1CCNC(=O)CCC3=CC4=C(C=C3)OCO4)C5=CSC=C5

InChI

InChI=1S/C25H26N2O4S/c28-25(8-6-18-5-7-22-23(13-18)30-17-29-22)26-10-11-27-14-19-3-1-2-4-21(19)31-24(15-27)20-9-12-32-16-20/h1-5,7,9,12-13,16,24H,6,8,10-11,14-15,17H2,(H,26,28)