tert-butyl N-[(2Z)-2-[piperidin-4-yl(pyridin-3-yl)methylidene]hexanoyl]carbamate

Systemtic Name: tert-butyl N-[(2Z)-2-[piperidin-4-yl(pyridin-3-yl)methylidene]hexanoyl]carbamate Openeye Name: tert-butyl N-[(2Z)-2-[4-piperidyl(3-pyridyl)methylene]hexanoyl]carbamate CAS Name: N-[(2Z)-1-oxo-2-[4-piperidinyl(3-pyridinyl)methylidene]hexyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2Z)-2-[piperidin-4-yl(pyridin-3-yl)methylidene]hexanoyl]carbamate Traditional Name: N-[(Z)-2-butyl-3-(4-piperidyl)-3-(3-pyridyl)acryloyl]carbamic acid tert-butyl ester Formula: C22H33N3O3 MolecularWeight: 387.51572

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=C(C1CCNCC1)C2=CN=CC=C2)C(=O)NC(=O)OC(C)(C)C

Isomeric SMILES

CCCC/C(=C(\C1CCNCC1)/C2=CN=CC=C2)/C(=O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C22H33N3O3/c1-5-6-9-18(20(26)25-21(27)28-22(2,3)4)19(16-10-13-23-14-11-16)17-8-7-12-24-15-17/h7-8,12,15-16,23H,5-6,9-11,13-14H2,1-4H3,(H,25,26,27)/b19-18-