4-[(E)-3-[2-(1,3-benzodioxol-5-yl)ethylamino]-3-oxidanylidene-prop-1-enyl]-N-cyclopropyl-benzamide

Systemtic Name: 4-[(E)-3-[2-(1,3-benzodioxol-5-yl)ethylamino]-3-oxidanylidene-prop-1-enyl]-N-cyclopropyl-benzamide Openeye Name: 4-[(E)-3-[2-(1,3-benzodioxol-5-yl)ethylamino]-3-oxo-prop-1-enyl]-N-cyclopropyl-benzamide CAS Name: 4-[(E)-3-[2-(1,3-benzodioxol-5-yl)ethylamino]-3-oxoprop-1-enyl]-N-cyclopropylbenzamide IUPAC Name: 4-[(E)-3-[2-(1,3-benzodioxol-5-yl)ethylamino]-3-oxoprop-1-enyl]-N-cyclopropylbenzamide Traditional Name: N-cyclopropyl-4-[(E)-3-(homopiperonylamino)-3-keto-prop-1-enyl]benzamide Formula: C22H22N2O4 MolecularWeight: 378.42108

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C2=CC=C(C=C2)C=CC(=O)NCCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CC1NC(=O)C2=CC=C(C=C2)/C=C/C(=O)NCCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H22N2O4/c25-21(23-12-11-16-3-9-19-20(13-16)28-14-27-19)10-4-15-1-5-17(6-2-15)22(26)24-18-7-8-18/h1-6,9-10,13,18H,7-8,11-12,14H2,(H,23,25)(H,24,26)/b10-4+