3-[[3-chloranyl-4-(4-ethoxyphenyl)carbonyl-phenyl]-(2-cyanoethyl)amino]propanenitrile

Systemtic Name: 3-[[3-chloranyl-4-(4-ethoxyphenyl)carbonyl-phenyl]-(2-cyanoethyl)amino]propanenitrile Openeye Name: 3-[3-chloro-N-(2-cyanoethyl)-4-(4-ethoxybenzoyl)anilino]propanenitrile CAS Name: 3-[3-chloro-N-(2-cyanoethyl)-4-[(4-ethoxyphenyl)-oxomethyl]anilino]propanenitrile IUPAC Name: 3-[3-chloro-N-(2-cyanoethyl)-4-(4-ethoxybenzoyl)anilino]propanenitrile Traditional Name: 3-[3-chloro-N-(2-cyanoethyl)-4-(4-ethoxybenzoyl)anilino]propionitrile Formula: C21H20ClN3O2 MolecularWeight: 381.8554

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)C2=C(C=C(C=C2)N(CCC#N)CCC#N)Cl

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)C2=C(C=C(C=C2)N(CCC#N)CCC#N)Cl

InChI

InChI=1S/C21H20ClN3O2/c1-2-27-18-8-5-16(6-9-18)21(26)19-10-7-17(15-20(19)22)25(13-3-11-23)14-4-12-24/h5-10,15H,2-4,13-14H2,1H3