(E)-3-(3-chloranyl-4,5-dimethoxy-phenyl)-N-[(2-pyrrolidin-1-ylpyridin-4-yl)methyl]prop-2-enamide

Systemtic Name: (E)-3-(3-chloranyl-4,5-dimethoxy-phenyl)-N-[(2-pyrrolidin-1-ylpyridin-4-yl)methyl]prop-2-enamide Openeye Name: (E)-3-(3-chloro-4,5-dimethoxy-phenyl)-N-[(2-pyrrolidin-1-yl-4-pyridyl)methyl]prop-2-enamide CAS Name: (E)-3-(3-chloro-4,5-dimethoxyphenyl)-N-[[2-(1-pyrrolidinyl)-4-pyridinyl]methyl]-2-propenamide IUPAC Name: (E)-3-(3-chloro-4,5-dimethoxyphenyl)-N-[(2-pyrrolidin-1-ylpyridin-4-yl)methyl]prop-2-enamide Traditional Name: (E)-3-(3-chloro-4,5-dimethoxy-phenyl)-N-[(2-pyrrolidino-4-pyridyl)methyl]acrylamide Formula: C21H24ClN3O3 MolecularWeight: 401.88656

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=CC(=O)NCC2=CC(=NC=C2)N3CCCC3)Cl)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C/C(=O)NCC2=CC(=NC=C2)N3CCCC3)Cl)OC

InChI

InChI=1S/C21H24ClN3O3/c1-27-18-12-15(11-17(22)21(18)28-2)5-6-20(26)24-14-16-7-8-23-19(13-16)25-9-3-4-10-25/h5-8,11-13H,3-4,9-10,14H2,1-2H3,(H,24,26)/b6-5+