N-(1,3-benzodioxol-5-ylcarbamoyl)-2-(5-oxidanylidene-7-phenyl-1,4-diazepan-1-yl)ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylcarbamoyl)-2-(5-oxidanylidene-7-phenyl-1,4-diazepan-1-yl)ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylcarbamoyl)-2-(5-oxo-7-phenyl-1,4-diazepan-1-yl)acetamide CAS Name: N-[(1,3-benzodioxol-5-ylamino)-oxomethyl]-2-(5-oxo-7-phenyl-1,4-diazepan-1-yl)acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylcarbamoyl)-2-(5-oxo-7-phenyl-1,4-diazepan-1-yl)acetamide Traditional Name: N-(1,3-benzodioxol-5-ylcarbamoyl)-2-(5-keto-7-phenyl-1,4-diazepan-1-yl)acetamide Formula: C21H22N4O5 MolecularWeight: 410.42318

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CC(=O)N1)C2=CC=CC=C2)CC(=O)NC(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(C(CC(=O)N1)C2=CC=CC=C2)CC(=O)NC(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H22N4O5/c26-19-11-16(14-4-2-1-3-5-14)25(9-8-22-19)12-20(27)24-21(28)23-15-6-7-17-18(10-15)30-13-29-17/h1-7,10,16H,8-9,11-13H2,(H,22,26)(H2,23,24,27,28)