methyl 4-[[3-(4-pyridin-4-ylpiperazin-1-yl)phenyl]carbonylamino]butanoate

Systemtic Name: methyl 4-[[3-(4-pyridin-4-ylpiperazin-1-yl)phenyl]carbonylamino]butanoate Openeye Name: methyl 4-[[3-[4-(4-pyridyl)piperazin-1-yl]benzoyl]amino]butanoate CAS Name: 4-[[oxo-[3-(4-pyridin-4-yl-1-piperazinyl)phenyl]methyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[3-(4-pyridin-4-ylpiperazin-1-yl)benzoyl]amino]butanoate Traditional Name: 4-[[3-[4-(4-pyridyl)piperazino]benzoyl]amino]butyric acid methyl ester Formula: C21H26N4O3 MolecularWeight: 382.45614

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=O)C1=CC(=CC=C1)N2CCN(CC2)C3=CC=NC=C3

Isomeric SMILES

COC(=O)CCCNC(=O)C1=CC(=CC=C1)N2CCN(CC2)C3=CC=NC=C3

InChI

InChI=1S/C21H26N4O3/c1-28-20(26)6-3-9-23-21(27)17-4-2-5-19(16-17)25-14-12-24(13-15-25)18-7-10-22-11-8-18/h2,4-5,7-8,10-11,16H,3,6,9,12-15H2,1H3,(H,23,27)