3-azanyl-N-[5-[(6E)-2-azanyl-3-cyano-6-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-1H-pyridin-4-yl]-2-piperidin-1-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-piperidin-1-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-(1-piperidyl)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-(1-piperidinyl)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-piperidin-1-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-piperidino-phenyl]propionamide Formula: C26H28N6O2 MolecularWeight: 456.53952

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C3=CC(=C4C=CC=CC4=O)NC(=C3C#N)N)NC(=O)CCN

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C3=C/C(=C\4/C=CC=CC4=O)/NC(=C3C#N)N)NC(=O)CCN

InChI

InChI=1S/C26H28N6O2/c27-11-10-25(34)30-22-14-17(8-9-23(22)32-12-4-1-5-13-32)19-15-21(31-26(29)20(19)16-28)18-6-2-3-7-24(18)33/h2-3,6-9,14-15,31H,1,4-5,10-13,27,29H2,(H,30,34)/b21-18+