ethyl 3-[[4-methyl-1-oxidanylidene-1-(4-pyridin-2-ylpiperazin-1-yl)pentan-2-yl]carbamoyl]oxirane-2-carboxylate

Systemtic Name: ethyl 3-[[4-methyl-1-oxidanylidene-1-(4-pyridin-2-ylpiperazin-1-yl)pentan-2-yl]carbamoyl]oxirane-2-carboxylate Openeye Name: ethyl 3-[[3-methyl-1-[4-(2-pyridyl)piperazine-1-carbonyl]butyl]carbamoyl]oxirane-2-carboxylate CAS Name: 3-[[[4-methyl-1-oxo-1-[4-(2-pyridinyl)-1-piperazinyl]pentan-2-yl]amino]-oxomethyl]-2-oxiranecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[4-methyl-1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)pentan-2-yl]carbamoyl]oxirane-2-carboxylate Traditional Name: 3-[[3-methyl-1-[4-(2-pyridyl)piperazine-1-carbonyl]butyl]carbamoyl]oxirane-2-carboxylic acid ethyl ester Formula: C21H30N4O5 MolecularWeight: 418.4867

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(O1)C(=O)NC(CC(C)C)C(=O)N2CCN(CC2)C3=CC=CC=N3

Isomeric SMILES

CCOC(=O)C1C(O1)C(=O)NC(CC(C)C)C(=O)N2CCN(CC2)C3=CC=CC=N3

InChI

InChI=1S/C21H30N4O5/c1-4-29-21(28)18-17(30-18)19(26)23-15(13-14(2)3)20(27)25-11-9-24(10-12-25)16-7-5-6-8-22-16/h5-8,14-15,17-18H,4,9-13H2,1-3H3,(H,23,26)