N-[[1-(2-cyanoethyl)pyrrol-2-yl]-(4-methoxyphenyl)methyl]benzamide

Systemtic Name: N-[[1-(2-cyanoethyl)pyrrol-2-yl]-(4-methoxyphenyl)methyl]benzamide Openeye Name: N-[[1-(2-cyanoethyl)pyrrol-2-yl]-(4-methoxyphenyl)methyl]benzamide CAS Name: N-[[1-(2-cyanoethyl)-2-pyrrolyl]-(4-methoxyphenyl)methyl]benzamide IUPAC Name: N-[[1-(2-cyanoethyl)pyrrol-2-yl]-(4-methoxyphenyl)methyl]benzamide Traditional Name: N-[[1-(2-cyanoethyl)pyrrol-2-yl]-(4-methoxyphenyl)methyl]benzamide Formula: C22H21N3O2 MolecularWeight: 359.42104

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C2=CC=CN2CCC#N)NC(=O)C3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)C(C2=CC=CN2CCC#N)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H21N3O2/c1-27-19-12-10-17(11-13-19)21(20-9-5-15-25(20)16-6-14-23)24-22(26)18-7-3-2-4-8-18/h2-5,7-13,15,21H,6,16H2,1H3,(H,24,26)