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

Systemtic Name: tert-butyl 3-[(6Z)-2-azanyl-3-methyl-6-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-1H-pyridin-4-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 3-[(6Z)-2-amino-3-methyl-6-(6-oxocyclohexa-2,4-dien-1-ylidene)-1H-pyridin-4-yl]piperidine-1-carboxylate CAS Name: 3-[(6Z)-2-amino-3-methyl-6-(6-oxo-1-cyclohexa-2,4-dienylidene)-1H-pyridin-4-yl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[(6Z)-2-amino-3-methyl-6-(6-oxocyclohexa-2,4-dien-1-ylidene)-1H-pyridin-4-yl]piperidine-1-carboxylate Traditional Name: 3-[(6Z)-2-amino-6-(6-ketocyclohexa-2,4-dien-1-ylidene)-3-methyl-1H-pyridin-4-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C22H29N3O3 MolecularWeight: 383.48396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C2C=CC=CC2=O)C=C1C3CCCN(C3)C(=O)OC(C)(C)C)N

Isomeric SMILES

CC1=C(N/C(=C\2/C=CC=CC2=O)/C=C1C3CCCN(C3)C(=O)OC(C)(C)C)N

InChI

InChI=1S/C22H29N3O3/c1-14-17(12-18(24-20(14)23)16-9-5-6-10-19(16)26)15-8-7-11-25(13-15)21(27)28-22(2,3)4/h5-6,9-10,12,15,24H,7-8,11,13,23H2,1-4H3/b18-16-