N-(4-methyl-3-morpholin-4-ylcarbonyl-5-phenyl-thiophen-2-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide

Systemtic Name: N-(4-methyl-3-morpholin-4-ylcarbonyl-5-phenyl-thiophen-2-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Openeye Name: N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenyl-2-thienyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide CAS Name: N-[4-methyl-3-[4-morpholinyl(oxo)methyl]-5-phenyl-2-thiophenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide IUPAC Name: N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Traditional Name: N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenyl-2-thienyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide Formula: C26H26N2O5S MolecularWeight: 478.56004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)N2CCOCC2)NC(=O)C3=CC4=C(C=C3)OCCCO4)C5=CC=CC=C5

Isomeric SMILES

CC1=C(SC(=C1C(=O)N2CCOCC2)NC(=O)C3=CC4=C(C=C3)OCCCO4)C5=CC=CC=C5

InChI

InChI=1S/C26H26N2O5S/c1-17-22(26(30)28-10-14-31-15-11-28)25(34-23(17)18-6-3-2-4-7-18)27-24(29)19-8-9-20-21(16-19)33-13-5-12-32-20/h2-4,6-9,16H,5,10-15H2,1H3,(H,27,29)