4-chloranyl-N-[3-[(E)-2-cyano-3-oxidanylidene-3-(phenethylamino)prop-1-enyl]phenyl]benzamide

Systemtic Name: 4-chloranyl-N-[3-[(E)-2-cyano-3-oxidanylidene-3-(phenethylamino)prop-1-enyl]phenyl]benzamide Openeye Name: 4-chloro-N-[3-[(E)-2-cyano-3-oxo-3-(phenethylamino)prop-1-enyl]phenyl]benzamide CAS Name: 4-chloro-N-[3-[(E)-2-cyano-3-oxo-3-(phenethylamino)prop-1-enyl]phenyl]benzamide IUPAC Name: 4-chloro-N-[3-[(E)-2-cyano-3-oxo-3-(phenethylamino)prop-1-enyl]phenyl]benzamide Traditional Name: 4-chloro-N-[3-[(E)-2-cyano-3-keto-3-(phenethylamino)prop-1-enyl]phenyl]benzamide Formula: C25H20ClN3O2 MolecularWeight: 429.8982

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)C(=CC2=CC(=CC=C2)NC(=O)C3=CC=C(C=C3)Cl)C#N

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)/C(=C/C2=CC(=CC=C2)NC(=O)C3=CC=C(C=C3)Cl)/C#N

InChI

InChI=1S/C25H20ClN3O2/c26-22-11-9-20(10-12-22)25(31)29-23-8-4-7-19(16-23)15-21(17-27)24(30)28-14-13-18-5-2-1-3-6-18/h1-12,15-16H,13-14H2,(H,28,30)(H,29,31)/b21-15+