butyl 4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]carbonylamino]benzoate

Systemtic Name: butyl 4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]carbonylamino]benzoate Openeye Name: butyl 4-[[4-(4-pyridylmethyl)piperazine-1-carbonyl]amino]benzoate CAS Name: 4-[[oxo-[4-(pyridin-4-ylmethyl)-1-piperazinyl]methyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]amino]benzoate Traditional Name: 4-[[4-(4-pyridylmethyl)piperazine-1-carbonyl]amino]benzoic acid butyl ester Formula: C22H28N4O3 MolecularWeight: 396.48272

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)N2CCN(CC2)CC3=CC=NC=C3

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)N2CCN(CC2)CC3=CC=NC=C3

InChI

InChI=1S/C22H28N4O3/c1-2-3-16-29-21(27)19-4-6-20(7-5-19)24-22(28)26-14-12-25(13-15-26)17-18-8-10-23-11-9-18/h4-11H,2-3,12-17H2,1H3,(H,24,28)