N-[[2-(dimethylamino)pyridin-3-yl]methyl]-4-oxidanylidene-4-(4-propoxyphenyl)butanamide

Systemtic Name: N-[[2-(dimethylamino)pyridin-3-yl]methyl]-4-oxidanylidene-4-(4-propoxyphenyl)butanamide Openeye Name: N-[[2-(dimethylamino)-3-pyridyl]methyl]-4-oxo-4-(4-propoxyphenyl)butanamide CAS Name: N-[[2-(dimethylamino)-3-pyridinyl]methyl]-4-oxo-4-(4-propoxyphenyl)butanamide IUPAC Name: N-[[2-(dimethylamino)pyridin-3-yl]methyl]-4-oxo-4-(4-propoxyphenyl)butanamide Traditional Name: N-[[2-(dimethylamino)-3-pyridyl]methyl]-4-keto-4-(4-propoxyphenyl)butyramide Formula: C21H27N3O3 MolecularWeight: 369.45738

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)CCC(=O)NCC2=C(N=CC=C2)N(C)C

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)CCC(=O)NCC2=C(N=CC=C2)N(C)C

InChI

InChI=1S/C21H27N3O3/c1-4-14-27-18-9-7-16(8-10-18)19(25)11-12-20(26)23-15-17-6-5-13-22-21(17)24(2)3/h5-10,13H,4,11-12,14-15H2,1-3H3,(H,23,26)