methyl 5-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]carbonyl-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 5-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]carbonyl-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 5-[4-[2-(3,5-dimethyl-1-piperidyl)-2-oxo-ethyl]piperazine-1-carbonyl]-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate CAS Name: 5-[[4-[2-(3,5-dimethyl-1-piperidinyl)-2-oxoethyl]-1-piperazinyl]-oxomethyl]-2-ethyl-4-methyl-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carbonyl]-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[4-[2-(3,5-dimethylpiperidino)-2-keto-ethyl]piperazine-1-carbonyl]-2-ethyl-4-methyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C23H36N4O4 MolecularWeight: 432.55634

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(N1)C(=O)N2CCN(CC2)CC(=O)N3CC(CC(C3)C)C)C)C(=O)OC

Isomeric SMILES

CCC1=C(C(=C(N1)C(=O)N2CCN(CC2)CC(=O)N3CC(CC(C3)C)C)C)C(=O)OC

InChI

InChI=1S/C23H36N4O4/c1-6-18-20(23(30)31-5)17(4)21(24-18)22(29)26-9-7-25(8-10-26)14-19(28)27-12-15(2)11-16(3)13-27/h15-16,24H,6-14H2,1-5H3