ethyl 6-[4-(4-oxidanylidene-4-phenyl-butanoyl)piperazin-1-yl]pyridine-3-carboxylate

Systemtic Name: ethyl 6-[4-(4-oxidanylidene-4-phenyl-butanoyl)piperazin-1-yl]pyridine-3-carboxylate Openeye Name: ethyl 6-[4-(4-oxo-4-phenyl-butanoyl)piperazin-1-yl]pyridine-3-carboxylate CAS Name: 6-[4-(1,4-dioxo-4-phenylbutyl)-1-piperazinyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[4-(4-oxo-4-phenylbutanoyl)piperazin-1-yl]pyridine-3-carboxylate Traditional Name: 6-[4-(4-keto-4-phenyl-butanoyl)piperazino]nicotinic acid ethyl ester Formula: C22H25N3O4 MolecularWeight: 395.4516

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(C=C1)N2CCN(CC2)C(=O)CCC(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CN=C(C=C1)N2CCN(CC2)C(=O)CCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H25N3O4/c1-2-29-22(28)18-8-10-20(23-16-18)24-12-14-25(15-13-24)21(27)11-9-19(26)17-6-4-3-5-7-17/h3-8,10,16H,2,9,11-15H2,1H3