(E)-3-(2,4-dimethylphenyl)-N-[(6-pyrrolidin-1-ylpyridin-3-yl)methyl]prop-2-enamide

Systemtic Name: (E)-3-(2,4-dimethylphenyl)-N-[(6-pyrrolidin-1-ylpyridin-3-yl)methyl]prop-2-enamide Openeye Name: (E)-3-(2,4-dimethylphenyl)-N-[(6-pyrrolidin-1-yl-3-pyridyl)methyl]prop-2-enamide CAS Name: (E)-3-(2,4-dimethylphenyl)-N-[[6-(1-pyrrolidinyl)-3-pyridinyl]methyl]-2-propenamide IUPAC Name: (E)-3-(2,4-dimethylphenyl)-N-[(6-pyrrolidin-1-ylpyridin-3-yl)methyl]prop-2-enamide Traditional Name: (E)-3-(2,4-dimethylphenyl)-N-[(6-pyrrolidino-3-pyridyl)methyl]acrylamide Formula: C21H25N3O MolecularWeight: 335.4427

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C=CC(=O)NCC2=CN=C(C=C2)N3CCCC3)C

Isomeric SMILES

CC1=CC(=C(C=C1)/C=C/C(=O)NCC2=CN=C(C=C2)N3CCCC3)C

InChI

InChI=1S/C21H25N3O/c1-16-5-7-19(17(2)13-16)8-10-21(25)23-15-18-6-9-20(22-14-18)24-11-3-4-12-24/h5-10,13-14H,3-4,11-12,15H2,1-2H3,(H,23,25)/b10-8+