tert-butyl N-[(Z)-3-cyano-4-oxidanyl-2-oxidanylidene-4-[4-(phenylmethyl)piperazin-1-yl]but-3-enyl]carbamate

Systemtic Name: tert-butyl N-[(Z)-3-cyano-4-oxidanyl-2-oxidanylidene-4-[4-(phenylmethyl)piperazin-1-yl]but-3-enyl]carbamate Openeye Name: tert-butyl N-[(Z)-4-(4-benzylpiperazin-1-yl)-3-cyano-4-hydroxy-2-oxo-but-3-enyl]carbamate CAS Name: N-[(Z)-3-cyano-4-hydroxy-2-oxo-4-[4-(phenylmethyl)-1-piperazinyl]but-3-enyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(Z)-4-(4-benzylpiperazin-1-yl)-3-cyano-4-hydroxy-2-oxobut-3-enyl]carbamate Traditional Name: N-[(Z)-4-(4-benzylpiperazino)-3-cyano-4-hydroxy-2-keto-but-3-enyl]carbamic acid tert-butyl ester Formula: C21H28N4O4 MolecularWeight: 400.47142

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC(=O)C(=C(N1CCN(CC1)CC2=CC=CC=C2)O)C#N

Isomeric SMILES

CC(C)(C)OC(=O)NCC(=O)/C(=C(/N1CCN(CC1)CC2=CC=CC=C2)\O)/C#N

InChI

InChI=1S/C21H28N4O4/c1-21(2,3)29-20(28)23-14-18(26)17(13-22)19(27)25-11-9-24(10-12-25)15-16-7-5-4-6-8-16/h4-8,27H,9-12,14-15H2,1-3H3,(H,23,28)/b19-17-