tert-butyl 4-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-[1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carbonyl]piperazine-1-carboxylate CAS Name: 4-[oxo-[1-[(E)-1-oxo-3-phenylprop-2-enyl]-4-piperidinyl]methyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[1-[(E)-3-phenylacryloyl]isonipecotoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C24H33N3O4 MolecularWeight: 427.53652

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2CCN(CC2)C(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2CCN(CC2)C(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C24H33N3O4/c1-24(2,3)31-23(30)27-17-15-26(16-18-27)22(29)20-11-13-25(14-12-20)21(28)10-9-19-7-5-4-6-8-19/h4-10,20H,11-18H2,1-3H3/b10-9+