tert-butyl 4-[2-[[3-(3-chlorophenyl)carbonyl-6-methyl-pyridin-2-yl]-ethyl-amino]-2-oxidanylidene-ethyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-[[3-(3-chlorophenyl)carbonyl-6-methyl-pyridin-2-yl]-ethyl-amino]-2-oxidanylidene-ethyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-[[3-(3-chlorobenzoyl)-6-methyl-2-pyridyl]-ethyl-amino]-2-oxo-ethyl]piperazine-1-carboxylate CAS Name: 4-[2-[[3-[(3-chlorophenyl)-oxomethyl]-6-methyl-2-pyridinyl]-ethylamino]-2-oxoethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-[[3-(3-chlorobenzoyl)-6-methylpyridin-2-yl]-ethylamino]-2-oxoethyl]piperazine-1-carboxylate Traditional Name: 4-[2-[[3-(3-chlorobenzoyl)-6-methyl-2-pyridyl]-ethyl-amino]-2-keto-ethyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C26H33ClN4O4 MolecularWeight: 501.01762

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=C(C=CC(=N1)C)C(=O)C2=CC(=CC=C2)Cl)C(=O)CN3CCN(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

CCN(C1=C(C=CC(=N1)C)C(=O)C2=CC(=CC=C2)Cl)C(=O)CN3CCN(CC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C26H33ClN4O4/c1-6-31(22(32)17-29-12-14-30(15-13-29)25(34)35-26(3,4)5)24-21(11-10-18(2)28-24)23(33)19-8-7-9-20(27)16-19/h7-11,16H,6,12-15,17H2,1-5H3