1-(4-bromophenyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-oxidanylidene-pyrrolidine-3-carboxamide

Systemtic Name: 1-(4-bromophenyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: 1-(4-bromophenyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-oxo-pyrrolidine-3-carboxamide CAS Name: 1-(4-bromophenyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: 1-(4-bromophenyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-oxopyrrolidine-3-carboxamide Traditional Name: 1-(4-bromophenyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-keto-pyrrolidine-3-carboxamide Formula: C20H19BrN2O4 MolecularWeight: 431.27986

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)C3CC(=O)N(C3)C4=CC=C(C=C4)Br)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)C3CC(=O)N(C3)C4=CC=C(C=C4)Br)OC1

InChI

InChI=1S/C20H19BrN2O4/c21-14-2-5-16(6-3-14)23-12-13(10-19(23)24)20(25)22-15-4-7-17-18(11-15)27-9-1-8-26-17/h2-7,11,13H,1,8-10,12H2,(H,22,25)