N-[[1-(2-cyanoethyl)-5-methyl-pyrrol-2-yl]methyl]-3,4-dimethoxy-benzamide

Systemtic Name: N-[[1-(2-cyanoethyl)-5-methyl-pyrrol-2-yl]methyl]-3,4-dimethoxy-benzamide Openeye Name: N-[[1-(2-cyanoethyl)-5-methyl-pyrrol-2-yl]methyl]-3,4-dimethoxy-benzamide CAS Name: N-[[1-(2-cyanoethyl)-5-methyl-2-pyrrolyl]methyl]-3,4-dimethoxybenzamide IUPAC Name: N-[[1-(2-cyanoethyl)-5-methylpyrrol-2-yl]methyl]-3,4-dimethoxybenzamide Traditional Name: N-[[1-(2-cyanoethyl)-5-methyl-pyrrol-2-yl]methyl]-3,4-dimethoxy-benzamide Formula: C18H21N3O3 MolecularWeight: 327.37764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1CCC#N)CNC(=O)C2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CC1=CC=C(N1CCC#N)CNC(=O)C2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C18H21N3O3/c1-13-5-7-15(21(13)10-4-9-19)12-20-18(22)14-6-8-16(23-2)17(11-14)24-3/h5-8,11H,4,10,12H2,1-3H3,(H,20,22)