3-azanyl-N-[5-[(6E)-2-azanyl-3-cyano-6-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-1H-pyridin-4-yl]-2-chloranyl-phenyl]propanamide

Systemtic Name: 3-azanyl-N-[5-[(6E)-2-azanyl-3-cyano-6-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-1H-pyridin-4-yl]-2-chloranyl-phenyl]propanamide Openeye Name: 3-amino-N-[5-[(6E)-2-amino-3-cyano-6-(6-oxocyclohexa-2,4-dien-1-ylidene)-1H-pyridin-4-yl]-2-chloro-phenyl]propanamide CAS Name: 3-amino-N-[5-[(6E)-2-amino-3-cyano-6-(6-oxo-1-cyclohexa-2,4-dienylidene)-1H-pyridin-4-yl]-2-chlorophenyl]propanamide IUPAC Name: 3-amino-N-[5-[(6E)-2-amino-3-cyano-6-(6-oxocyclohexa-2,4-dien-1-ylidene)-1H-pyridin-4-yl]-2-chlorophenyl]propanamide Traditional Name: 3-amino-N-[5-[(6E)-2-amino-3-cyano-6-(6-ketocyclohexa-2,4-dien-1-ylidene)-1H-pyridin-4-yl]-2-chloro-phenyl]propionamide Formula: C21H18ClN5O2 MolecularWeight: 407.85292

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C=C(C(=C(N2)N)C#N)C3=CC(=C(C=C3)Cl)NC(=O)CCN)C(=O)C=C1

Isomeric SMILES

C1=C/C(=C\2/C=C(C(=C(N2)N)C#N)C3=CC(=C(C=C3)Cl)NC(=O)CCN)/C(=O)C=C1

InChI

InChI=1S/C21H18ClN5O2/c22-16-6-5-12(9-18(16)26-20(29)7-8-23)14-10-17(27-21(25)15(14)11-24)13-3-1-2-4-19(13)28/h1-6,9-10,27H,7-8,23,25H2,(H,26,29)/b17-13+