2-[(4-bromophenyl)amino]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoyl)ethanamide

Systemtic Name: 2-[(4-bromophenyl)amino]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoyl)ethanamide Openeye Name: 2-(4-bromoanilino)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoyl)acetamide CAS Name: 2-(4-bromoanilino)-N-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-oxomethyl]acetamide IUPAC Name: 2-(4-bromoanilino)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoyl)acetamide Traditional Name: 2-(4-bromoanilino)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoyl)acetamide Formula: C18H18BrN3O4 MolecularWeight: 420.25722

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)NC(=O)CNC3=CC=C(C=C3)Br)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)NC(=O)CNC3=CC=C(C=C3)Br)OC1

InChI

InChI=1S/C18H18BrN3O4/c19-12-2-4-13(5-3-12)20-11-17(23)22-18(24)21-14-6-7-15-16(10-14)26-9-1-8-25-15/h2-7,10,20H,1,8-9,11H2,(H2,21,22,23,24)