(E)-3-(1,3-benzodioxol-5-yl)-N-(2-oxidanylideneazepan-4-yl)prop-2-enamide

Systemtic Name: (E)-3-(1,3-benzodioxol-5-yl)-N-(2-oxidanylideneazepan-4-yl)prop-2-enamide Openeye Name: (E)-3-(1,3-benzodioxol-5-yl)-N-(2-oxoazepan-4-yl)prop-2-enamide CAS Name: (E)-3-(1,3-benzodioxol-5-yl)-N-(2-oxo-4-azepanyl)-2-propenamide IUPAC Name: (E)-3-(1,3-benzodioxol-5-yl)-N-(2-oxoazepan-4-yl)prop-2-enamide Traditional Name: (E)-3-(1,3-benzodioxol-5-yl)-N-(2-ketoazepan-4-yl)acrylamide Formula: C16H18N2O4 MolecularWeight: 302.32512

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC(=O)NC1)NC(=O)C=CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C1CC(CC(=O)NC1)NC(=O)/C=C/C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H18N2O4/c19-15(18-12-2-1-7-17-16(20)9-12)6-4-11-3-5-13-14(8-11)22-10-21-13/h3-6,8,12H,1-2,7,9-10H2,(H,17,20)(H,18,19)/b6-4+