tert-butyl 4-[5-azanyl-2-chloranyl-4-(2-ethylbutanoylamino)phenyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[5-azanyl-2-chloranyl-4-(2-ethylbutanoylamino)phenyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[5-amino-2-chloro-4-(2-ethylbutanoylamino)phenyl]piperazine-1-carboxylate CAS Name: 4-[5-amino-2-chloro-4-[(2-ethyl-1-oxobutyl)amino]phenyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[5-amino-2-chloro-4-(2-ethylbutanoylamino)phenyl]piperazine-1-carboxylate Traditional Name: 4-[5-amino-2-chloro-4-(2-ethylbutanoylamino)phenyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C21H33ClN4O3 MolecularWeight: 424.96472

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)NC1=C(C=C(C(=C1)Cl)N2CCN(CC2)C(=O)OC(C)(C)C)N

Isomeric SMILES

CCC(CC)C(=O)NC1=C(C=C(C(=C1)Cl)N2CCN(CC2)C(=O)OC(C)(C)C)N

InChI

InChI=1S/C21H33ClN4O3/c1-6-14(7-2)19(27)24-17-12-15(22)18(13-16(17)23)25-8-10-26(11-9-25)20(28)29-21(3,4)5/h12-14H,6-11,23H2,1-5H3,(H,24,27)