tert-butyl 3-[(E)-2-aminocarbonyl-1-piperazin-1-yl-but-1-enyl]pyridine-4-carboxylate

Systemtic Name: tert-butyl 3-[(E)-2-aminocarbonyl-1-piperazin-1-yl-but-1-enyl]pyridine-4-carboxylate Openeye Name: tert-butyl 3-[(E)-2-carbamoyl-1-piperazin-1-yl-but-1-enyl]pyridine-4-carboxylate CAS Name: 3-[(E)-2-carbamoyl-1-(1-piperazinyl)but-1-enyl]-4-pyridinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[(E)-2-carbamoyl-1-piperazin-1-ylbut-1-enyl]pyridine-4-carboxylate Traditional Name: 3-[(E)-2-carbamoyl-1-piperazino-but-1-enyl]isonicotinic acid tert-butyl ester Formula: C19H28N4O3 MolecularWeight: 360.45062

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C(C1=C(C=CN=C1)C(=O)OC(C)(C)C)N2CCNCC2)C(=O)N

Isomeric SMILES

CC/C(=C(/C1=C(C=CN=C1)C(=O)OC(C)(C)C)\N2CCNCC2)/C(=O)N

InChI

InChI=1S/C19H28N4O3/c1-5-13(17(20)24)16(23-10-8-21-9-11-23)15-12-22-7-6-14(15)18(25)26-19(2,3)4/h6-7,12,21H,5,8-11H2,1-4H3,(H2,20,24)/b16-13+