(E)-2-(4-chlorophenyl)carbonyl-3-[1-(2-cyanoethyl)indol-3-yl]prop-2-enenitrile

Systemtic Name: (E)-2-(4-chlorophenyl)carbonyl-3-[1-(2-cyanoethyl)indol-3-yl]prop-2-enenitrile Openeye Name: (E)-2-(4-chlorobenzoyl)-3-[1-(2-cyanoethyl)indol-3-yl]prop-2-enenitrile CAS Name: (E)-2-[(4-chlorophenyl)-oxomethyl]-3-[1-(2-cyanoethyl)-3-indolyl]-2-propenenitrile IUPAC Name: (E)-2-(4-chlorobenzoyl)-3-[1-(2-cyanoethyl)indol-3-yl]prop-2-enenitrile Traditional Name: (E)-2-(4-chlorobenzoyl)-3-[1-(2-cyanoethyl)indol-3-yl]acrylonitrile Formula: C21H14ClN3O MolecularWeight: 359.80836

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2CCC#N)C=C(C#N)C(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2CCC#N)/C=C(\C#N)/C(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H14ClN3O/c22-18-8-6-15(7-9-18)21(26)16(13-24)12-17-14-25(11-3-10-23)20-5-2-1-4-19(17)20/h1-2,4-9,12,14H,3,11H2/b16-12+