ethyl 4-[(E)-1-azanyl-3-[(4-chlorophenyl)amino]-2-cyano-3-oxidanylidene-prop-1-enyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[(E)-1-azanyl-3-[(4-chlorophenyl)amino]-2-cyano-3-oxidanylidene-prop-1-enyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(E)-1-amino-3-(4-chloroanilino)-2-cyano-3-oxo-prop-1-enyl]piperazine-1-carboxylate CAS Name: 4-[(E)-1-amino-3-(4-chloroanilino)-2-cyano-3-oxoprop-1-enyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(E)-1-amino-3-(4-chloroanilino)-2-cyano-3-oxoprop-1-enyl]piperazine-1-carboxylate Traditional Name: 4-[(E)-1-amino-3-(4-chloroanilino)-2-cyano-3-keto-prop-1-enyl]piperazine-1-carboxylic acid ethyl ester Formula: C17H20ClN5O3 MolecularWeight: 377.8254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=C(C#N)C(=O)NC2=CC=C(C=C2)Cl)N

Isomeric SMILES

CCOC(=O)N1CCN(CC1)/C(=C(\C#N)/C(=O)NC2=CC=C(C=C2)Cl)/N

InChI

InChI=1S/C17H20ClN5O3/c1-2-26-17(25)23-9-7-22(8-10-23)15(20)14(11-19)16(24)21-13-5-3-12(18)4-6-13/h3-6H,2,7-10,20H2,1H3,(H,21,24)/b15-14+