2-(azepan-1-yl)-N-(1,3-benzodioxol-5-ylcarbamoyl)ethanamide

Systemtic Name: 2-(azepan-1-yl)-N-(1,3-benzodioxol-5-ylcarbamoyl)ethanamide Openeye Name: 2-(azepan-1-yl)-N-(1,3-benzodioxol-5-ylcarbamoyl)acetamide CAS Name: 2-(1-azepanyl)-N-[(1,3-benzodioxol-5-ylamino)-oxomethyl]acetamide IUPAC Name: 2-(azepan-1-yl)-N-(1,3-benzodioxol-5-ylcarbamoyl)acetamide Traditional Name: 2-(azepan-1-yl)-N-(1,3-benzodioxol-5-ylcarbamoyl)acetamide Formula: C16H21N3O4 MolecularWeight: 319.35564

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC(=O)NC(=O)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C1CCCN(CC1)CC(=O)NC(=O)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H21N3O4/c20-15(10-19-7-3-1-2-4-8-19)18-16(21)17-12-5-6-13-14(9-12)23-11-22-13/h5-6,9H,1-4,7-8,10-11H2,(H2,17,18,20,21)