ethyl 6-[2-methyl-4-(2-methylpropyl)-3-oxidanylidene-piperazin-1-yl]pyridine-3-carboxylate

Systemtic Name: ethyl 6-[2-methyl-4-(2-methylpropyl)-3-oxidanylidene-piperazin-1-yl]pyridine-3-carboxylate Openeye Name: ethyl 6-(4-isobutyl-2-methyl-3-oxo-piperazin-1-yl)pyridine-3-carboxylate CAS Name: 6-[2-methyl-4-(2-methylpropyl)-3-oxo-1-piperazinyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[2-methyl-4-(2-methylpropyl)-3-oxopiperazin-1-yl]pyridine-3-carboxylate Traditional Name: 6-(4-isobutyl-3-keto-2-methyl-piperazino)nicotinic acid ethyl ester Formula: C17H25N3O3 MolecularWeight: 319.3987

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(C=C1)N2CCN(C(=O)C2C)CC(C)C

Isomeric SMILES

CCOC(=O)C1=CN=C(C=C1)N2CCN(C(=O)C2C)CC(C)C

InChI

InChI=1S/C17H25N3O3/c1-5-23-17(22)14-6-7-15(18-10-14)20-9-8-19(11-12(2)3)16(21)13(20)4/h6-7,10,12-13H,5,8-9,11H2,1-4H3