(E)-3-(1,3-benzodioxol-5-yl)-N-[(4-pyrrolidin-1-ylphenyl)methyl]prop-2-enamide

Systemtic Name: (E)-3-(1,3-benzodioxol-5-yl)-N-[(4-pyrrolidin-1-ylphenyl)methyl]prop-2-enamide Openeye Name: (E)-3-(1,3-benzodioxol-5-yl)-N-[(4-pyrrolidin-1-ylphenyl)methyl]prop-2-enamide CAS Name: (E)-3-(1,3-benzodioxol-5-yl)-N-[[4-(1-pyrrolidinyl)phenyl]methyl]-2-propenamide IUPAC Name: (E)-3-(1,3-benzodioxol-5-yl)-N-[(4-pyrrolidin-1-ylphenyl)methyl]prop-2-enamide Traditional Name: (E)-3-(1,3-benzodioxol-5-yl)-N-(4-pyrrolidinobenzyl)acrylamide Formula: C21H22N2O3 MolecularWeight: 350.41098

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC=C(C=C2)CNC(=O)C=CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCN(C1)C2=CC=C(C=C2)CNC(=O)/C=C/C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H22N2O3/c24-21(10-6-16-5-9-19-20(13-16)26-15-25-19)22-14-17-3-7-18(8-4-17)23-11-1-2-12-23/h3-10,13H,1-2,11-12,14-15H2,(H,22,24)/b10-6+