tert-butyl 4-[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]piperazine-1-carboxylate CAS Name: 4-[(E)-1-oxo-3-(1-phenyl-4-pyrazolyl)prop-2-enyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]piperazine-1-carboxylate Traditional Name: 4-[(E)-3-(1-phenylpyrazol-4-yl)acryloyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C21H26N4O3 MolecularWeight: 382.45614

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C=CC2=CN(N=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)/C=C/C2=CN(N=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H26N4O3/c1-21(2,3)28-20(27)24-13-11-23(12-14-24)19(26)10-9-17-15-22-25(16-17)18-7-5-4-6-8-18/h4-10,15-16H,11-14H2,1-3H3/b10-9+