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

Systemtic Name: N-[3-[(6E)-2-acetamido-3-cyano-6-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-1H-pyridin-4-yl]phenyl]-3-piperidin-1-yl-propanamide Openeye Name: N-[3-[(6E)-2-acetamido-3-cyano-6-(6-oxocyclohexa-2,4-dien-1-ylidene)-1H-pyridin-4-yl]phenyl]-3-(1-piperidyl)propanamide CAS Name: N-[3-[(6E)-2-acetamido-3-cyano-6-(6-oxo-1-cyclohexa-2,4-dienylidene)-1H-pyridin-4-yl]phenyl]-3-(1-piperidinyl)propanamide IUPAC Name: N-[3-[(6E)-2-acetamido-3-cyano-6-(6-oxocyclohexa-2,4-dien-1-ylidene)-1H-pyridin-4-yl]phenyl]-3-piperidin-1-ylpropanamide Traditional Name: N-[3-[(6E)-2-acetamido-3-cyano-6-(6-ketocyclohexa-2,4-dien-1-ylidene)-1H-pyridin-4-yl]phenyl]-3-piperidino-propionamide Formula: C28H29N5O3 MolecularWeight: 483.56156

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C(=CC(=C2C=CC=CC2=O)N1)C3=CC(=CC=C3)NC(=O)CCN4CCCCC4)C#N

Isomeric SMILES

CC(=O)NC1=C(C(=C/C(=C\2/C=CC=CC2=O)/N1)C3=CC(=CC=C3)NC(=O)CCN4CCCCC4)C#N

InChI

InChI=1S/C28H29N5O3/c1-19(34)30-28-24(18-29)23(17-25(32-28)22-10-3-4-11-26(22)35)20-8-7-9-21(16-20)31-27(36)12-15-33-13-5-2-6-14-33/h3-4,7-11,16-17,32H,2,5-6,12-15H2,1H3,(H,30,34)(H,31,36)/b25-22+