N-tert-butyl-4-[4-[2-(prop-2-enylamino)ethanoylamino]phenyl]piperazine-1-carboxamide

Systemtic Name: N-tert-butyl-4-[4-[2-(prop-2-enylamino)ethanoylamino]phenyl]piperazine-1-carboxamide Openeye Name: 4-[4-[[2-(allylamino)acetyl]amino]phenyl]-N-tert-butyl-piperazine-1-carboxamide CAS Name: N-tert-butyl-4-[4-[[1-oxo-2-(prop-2-enylamino)ethyl]amino]phenyl]-1-piperazinecarboxamide IUPAC Name: N-tert-butyl-4-[4-[[2-(prop-2-enylamino)acetyl]amino]phenyl]piperazine-1-carboxamide Traditional Name: 4-[4-[[2-(allylamino)acetyl]amino]phenyl]-N-tert-butyl-piperazine-1-carboxamide Formula: C20H31N5O2 MolecularWeight: 373.49244

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)CNCC=C

Isomeric SMILES

CC(C)(C)NC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)CNCC=C

InChI

InChI=1S/C20H31N5O2/c1-5-10-21-15-18(26)22-16-6-8-17(9-7-16)24-11-13-25(14-12-24)19(27)23-20(2,3)4/h5-9,21H,1,10-15H2,2-4H3,(H,22,26)(H,23,27)