tert-butyl 4-[2-[[3-(diethylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-[[3-(diethylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-[3-(diethylcarbamoyl)anilino]-2-oxo-ethyl]piperazine-1-carboxylate CAS Name: 4-[2-[3-[diethylamino(oxo)methyl]anilino]-2-oxoethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]piperazine-1-carboxylate Traditional Name: 4-[2-[3-(diethylcarbamoyl)anilino]-2-keto-ethyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C22H34N4O4 MolecularWeight: 418.52976

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC(=CC=C1)NC(=O)CN2CCN(CC2)C(=O)OC(C)(C)C

Isomeric SMILES

CCN(CC)C(=O)C1=CC(=CC=C1)NC(=O)CN2CCN(CC2)C(=O)OC(C)(C)C

InChI

InChI=1S/C22H34N4O4/c1-6-25(7-2)20(28)17-9-8-10-18(15-17)23-19(27)16-24-11-13-26(14-12-24)21(29)30-22(3,4)5/h8-10,15H,6-7,11-14,16H2,1-5H3,(H,23,27)