tert-butyl 4-[3-[[4-(3-chlorophenyl)piperazin-1-yl]carbonylamino]-5-ethyl-6-methyl-pyridin-2-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[3-[[4-(3-chlorophenyl)piperazin-1-yl]carbonylamino]-5-ethyl-6-methyl-pyridin-2-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[3-[[4-(3-chlorophenyl)piperazine-1-carbonyl]amino]-5-ethyl-6-methyl-2-pyridyl]piperazine-1-carboxylate CAS Name: 4-[3-[[[4-(3-chlorophenyl)-1-piperazinyl]-oxomethyl]amino]-5-ethyl-6-methyl-2-pyridinyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-[[4-(3-chlorophenyl)piperazine-1-carbonyl]amino]-5-ethyl-6-methylpyridin-2-yl]piperazine-1-carboxylate Traditional Name: 4-[3-[[4-(3-chlorophenyl)piperazine-1-carbonyl]amino]-5-ethyl-6-methyl-2-pyridyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C28H39ClN6O3 MolecularWeight: 543.10066

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(N=C1C)N2CCN(CC2)C(=O)OC(C)(C)C)NC(=O)N3CCN(CC3)C4=CC(=CC=C4)Cl

Isomeric SMILES

CCC1=CC(=C(N=C1C)N2CCN(CC2)C(=O)OC(C)(C)C)NC(=O)N3CCN(CC3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C28H39ClN6O3/c1-6-21-18-24(31-26(36)34-14-10-32(11-15-34)23-9-7-8-22(29)19-23)25(30-20(21)2)33-12-16-35(17-13-33)27(37)38-28(3,4)5/h7-9,18-19H,6,10-17H2,1-5H3,(H,31,36)