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

Systemtic Name: N-[5-[(6E)-2-azanyl-3-cyano-6-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-1H-pyridin-4-yl]-2-piperidin-1-yl-phenyl]-3-piperidin-1-yl-propanamide Openeye Name: N-[5-[(6E)-2-amino-3-cyano-6-(6-oxocyclohexa-2,4-dien-1-ylidene)-1H-pyridin-4-yl]-2-(1-piperidyl)phenyl]-3-(1-piperidyl)propanamide CAS Name: N-[5-[(6E)-2-amino-3-cyano-6-(6-oxo-1-cyclohexa-2,4-dienylidene)-1H-pyridin-4-yl]-2-(1-piperidinyl)phenyl]-3-(1-piperidinyl)propanamide IUPAC Name: N-[5-[(6E)-2-amino-3-cyano-6-(6-oxocyclohexa-2,4-dien-1-ylidene)-1H-pyridin-4-yl]-2-piperidin-1-ylphenyl]-3-piperidin-1-ylpropanamide Traditional Name: N-[5-[(6E)-2-amino-3-cyano-6-(6-ketocyclohexa-2,4-dien-1-ylidene)-1H-pyridin-4-yl]-2-piperidino-phenyl]-3-piperidino-propionamide Formula: C31H36N6O2 MolecularWeight: 524.65654

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCC(=O)NC2=C(C=CC(=C2)C3=CC(=C4C=CC=CC4=O)NC(=C3C#N)N)N5CCCCC5

Isomeric SMILES

C1CCN(CC1)CCC(=O)NC2=C(C=CC(=C2)C3=C/C(=C\4/C=CC=CC4=O)/NC(=C3C#N)N)N5CCCCC5

InChI

InChI=1S/C31H36N6O2/c32-21-25-24(20-26(35-31(25)33)23-9-3-4-10-29(23)38)22-11-12-28(37-16-7-2-8-17-37)27(19-22)34-30(39)13-18-36-14-5-1-6-15-36/h3-4,9-12,19-20,35H,1-2,5-8,13-18,33H2,(H,34,39)/b26-23+