3-azanyl-N-[5-[(6E)-2-azanyl-3-cyano-6-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-1H-pyridin-4-yl]-2-morpholin-4-yl-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-morpholin-4-yl-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-morpholino-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-(4-morpholinyl)phenyl]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-morpholin-4-ylphenyl]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-morpholino-phenyl]propionamide Formula: C25H26N6O3 MolecularWeight: 458.51234

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)C3=CC(=C4C=CC=CC4=O)NC(=C3C#N)N)NC(=O)CCN

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)C3=C/C(=C\4/C=CC=CC4=O)/NC(=C3C#N)N)NC(=O)CCN

InChI

InChI=1S/C25H26N6O3/c26-8-7-24(33)29-21-13-16(5-6-22(21)31-9-11-34-12-10-31)18-14-20(30-25(28)19(18)15-27)17-3-1-2-4-23(17)32/h1-6,13-14,30H,7-12,26,28H2,(H,29,33)/b20-17+