ethyl 4-oxidanylidene-4-[[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]amino]butanoate

Systemtic Name: ethyl 4-oxidanylidene-4-[[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]amino]butanoate Openeye Name: ethyl 4-oxo-4-[4-[[4-(2-pyridyl)piperazin-1-yl]methyl]anilino]butanoate CAS Name: 4-oxo-4-[4-[[4-(2-pyridinyl)-1-piperazinyl]methyl]anilino]butanoic acid ethyl ester IUPAC Name: ethyl 4-oxo-4-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]anilino]butanoate Traditional Name: 4-keto-4-[4-[[4-(2-pyridyl)piperazino]methyl]anilino]butyric acid ethyl ester Formula: C22H28N4O3 MolecularWeight: 396.48272

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)NC1=CC=C(C=C1)CN2CCN(CC2)C3=CC=CC=N3

Isomeric SMILES

CCOC(=O)CCC(=O)NC1=CC=C(C=C1)CN2CCN(CC2)C3=CC=CC=N3

InChI

InChI=1S/C22H28N4O3/c1-2-29-22(28)11-10-21(27)24-19-8-6-18(7-9-19)17-25-13-15-26(16-14-25)20-5-3-4-12-23-20/h3-9,12H,2,10-11,13-17H2,1H3,(H,24,27)