tert-butyl 3-[(6Z)-3-cyano-6-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-2-(propylamino)-1H-pyridin-4-yl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 3-[(6Z)-3-cyano-6-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-2-(propylamino)-1H-pyridin-4-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 3-[(6Z)-3-cyano-6-(6-oxocyclohexa-2,4-dien-1-ylidene)-2-(propylamino)-1H-pyridin-4-yl]piperidine-1-carboxylate CAS Name: 3-[(6Z)-3-cyano-6-(6-oxo-1-cyclohexa-2,4-dienylidene)-2-(propylamino)-1H-pyridin-4-yl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[(6Z)-3-cyano-6-(6-oxocyclohexa-2,4-dien-1-ylidene)-2-(propylamino)-1H-pyridin-4-yl]piperidine-1-carboxylate Traditional Name: 3-[(6Z)-3-cyano-6-(6-ketocyclohexa-2,4-dien-1-ylidene)-2-(propylamino)-1H-pyridin-4-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C25H32N4O3 MolecularWeight: 436.54658

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=C(C(=CC(=C2C=CC=CC2=O)N1)C3CCCN(C3)C(=O)OC(C)(C)C)C#N

Isomeric SMILES

CCCNC1=C(C(=C/C(=C/2\C=CC=CC2=O)/N1)C3CCCN(C3)C(=O)OC(C)(C)C)C#N

InChI

InChI=1S/C25H32N4O3/c1-5-12-27-23-20(15-26)19(14-21(28-23)18-10-6-7-11-22(18)30)17-9-8-13-29(16-17)24(31)32-25(2,3)4/h6-7,10-11,14,17,27-28H,5,8-9,12-13,16H2,1-4H3/b21-18-