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

Systemtic Name: N-[3-[(E)-3-(butylamino)-2-cyano-3-oxidanylidene-prop-1-enyl]phenyl]-4-chloranyl-benzamide Openeye Name: N-[3-[(E)-3-(butylamino)-2-cyano-3-oxo-prop-1-enyl]phenyl]-4-chloro-benzamide CAS Name: N-[3-[(E)-3-(butylamino)-2-cyano-3-oxoprop-1-enyl]phenyl]-4-chlorobenzamide IUPAC Name: N-[3-[(E)-3-(butylamino)-2-cyano-3-oxoprop-1-enyl]phenyl]-4-chlorobenzamide Traditional Name: N-[3-[(E)-3-(butylamino)-2-cyano-3-keto-prop-1-enyl]phenyl]-4-chloro-benzamide Formula: C21H20ClN3O2 MolecularWeight: 381.8554

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C(=CC1=CC(=CC=C1)NC(=O)C2=CC=C(C=C2)Cl)C#N

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClN3O2/c1-2-3-11-24-20(26)17(14-23)12-15-5-4-6-19(13-15)25-21(27)16-7-9-18(22)10-8-16/h4-10,12-13H,2-3,11H2,1H3,(H,24,26)(H,25,27)/b17-12+