2-azanyl-N-(2-cyanoethyl)-3-(3-methylphenyl)-N-(3-oxidanylidene-1H-2-benzofuran-5-yl)propanamide

Systemtic Name: 2-azanyl-N-(2-cyanoethyl)-3-(3-methylphenyl)-N-(3-oxidanylidene-1H-2-benzofuran-5-yl)propanamide Openeye Name: 2-amino-N-(2-cyanoethyl)-3-(m-tolyl)-N-(3-oxo-1H-isobenzofuran-5-yl)propanamide CAS Name: 2-amino-N-(2-cyanoethyl)-3-(3-methylphenyl)-N-(3-oxo-1H-isobenzofuran-5-yl)propanamide IUPAC Name: 2-amino-N-(2-cyanoethyl)-3-(3-methylphenyl)-N-(3-oxo-1H-2-benzofuran-5-yl)propanamide Traditional Name: 2-amino-N-(2-cyanoethyl)-N-(3-ketophthalan-5-yl)-3-(m-tolyl)propionamide Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CC(C(=O)N(CCC#N)C2=CC3=C(COC3=O)C=C2)N

Isomeric SMILES

CC1=CC(=CC=C1)CC(C(=O)N(CCC#N)C2=CC3=C(COC3=O)C=C2)N

InChI

InChI=1S/C21H21N3O3/c1-14-4-2-5-15(10-14)11-19(23)20(25)24(9-3-8-22)17-7-6-16-13-27-21(26)18(16)12-17/h2,4-7,10,12,19H,3,9,11,13,23H2,1H3