tert-butyl (6Z)-2-azanyl-6-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-4-piperidin-3-yl-1H-pyridine-3-carboxylate hydrochloride

Systemtic Name: tert-butyl (6Z)-2-azanyl-6-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-4-piperidin-3-yl-1H-pyridine-3-carboxylate hydrochloride Openeye Name: tert-butyl (6Z)-2-amino-6-(6-oxocyclohexa-2,4-dien-1-ylidene)-4-(3-piperidyl)-1H-pyridine-3-carboxylate hydrochloride CAS Name: (6Z)-2-amino-6-(6-oxo-1-cyclohexa-2,4-dienylidene)-4-(3-piperidinyl)-1H-pyridine-3-carboxylic acid tert-butyl ester hydrochloride IUPAC Name: tert-butyl (6Z)-2-amino-6-(6-oxocyclohexa-2,4-dien-1-ylidene)-4-piperidin-3-yl-1H-pyridine-3-carboxylate hydrochloride Traditional Name: (6Z)-2-amino-6-(6-ketocyclohexa-2,4-dien-1-ylidene)-4-(3-piperidyl)-1H-pyridine-3-carboxylic acid tert-butyl ester hydrochloride Formula: C21H28ClN3O3 MolecularWeight: 405.91832

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=C(NC(=C2C=CC=CC2=O)C=C1C3CCCNC3)N.Cl

Isomeric SMILES

CC(C)(C)OC(=O)C1=C(N/C(=C\2/C=CC=CC2=O)/C=C1C3CCCNC3)N.Cl

InChI

InChI=1S/C21H27N3O3.ClH/c1-21(2,3)27-20(26)18-15(13-7-6-10-23-12-13)11-16(24-19(18)22)14-8-4-5-9-17(14)25;/h4-5,8-9,11,13,23-24H,6-7,10,12,22H2,1-3H3;1H/b16-14-;