N-[4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-4-oxidanylidene-butyl]thiophene-3-carboxamide

Systemtic Name: N-[4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-4-oxidanylidene-butyl]thiophene-3-carboxamide Openeye Name: N-[4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-4-oxo-butyl]thiophene-3-carboxamide CAS Name: N-[4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidinyl]-4-oxobutyl]-3-thiophenecarboxamide IUPAC Name: N-[4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-4-oxobutyl]thiophene-3-carboxamide Traditional Name: N-[4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidino]-4-keto-butyl]thiophene-3-carboxamide Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CCCNC(=O)C2=CSC=C2)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

C1CC(N(C1)C(=O)CCCNC(=O)C2=CSC=C2)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C22H26N2O4S/c25-21(5-1-9-23-22(26)17-8-13-29-15-17)24-10-2-4-18(24)16-6-7-19-20(14-16)28-12-3-11-27-19/h6-8,13-15,18H,1-5,9-12H2,(H,23,26)