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

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

CC(CC(=O)OC)NC(=O)C1=CC=C(C=C1)N2CCN(CC2)C3=CC=NC=C3

Isomeric SMILES

CC(CC(=O)OC)NC(=O)C1=CC=C(C=C1)N2CCN(CC2)C3=CC=NC=C3

InChI

InChI=1S/C21H26N4O3/c1-16(15-20(26)28-2)23-21(27)17-3-5-18(6-4-17)24-11-13-25(14-12-24)19-7-9-22-10-8-19/h3-10,16H,11-15H2,1-2H3,(H,23,27)