N-(2-methylpropyl)-5-[[pyridin-3-ylcarbonyl(pyridin-4-ylmethyl)amino]methyl]-1,2-oxazole-3-carboxamide

Systemtic Name: N-(2-methylpropyl)-5-[[pyridin-3-ylcarbonyl(pyridin-4-ylmethyl)amino]methyl]-1,2-oxazole-3-carboxamide Openeye Name: N-isobutyl-5-[[pyridine-3-carbonyl(4-pyridylmethyl)amino]methyl]isoxazole-3-carboxamide CAS Name: N-(2-methylpropyl)-5-[[[oxo(3-pyridinyl)methyl]-(pyridin-4-ylmethyl)amino]methyl]-3-isoxazolecarboxamide IUPAC Name: N-(2-methylpropyl)-5-[[pyridine-3-carbonyl(pyridin-4-ylmethyl)amino]methyl]-1,2-oxazole-3-carboxamide Traditional Name: N-isobutyl-5-[[nicotinoyl(4-pyridylmethyl)amino]methyl]isoxazole-3-carboxamide Formula: C21H23N5O3 MolecularWeight: 393.43902

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=NOC(=C1)CN(CC2=CC=NC=C2)C(=O)C3=CN=CC=C3

Isomeric SMILES

CC(C)CNC(=O)C1=NOC(=C1)CN(CC2=CC=NC=C2)C(=O)C3=CN=CC=C3

InChI

InChI=1S/C21H23N5O3/c1-15(2)11-24-20(27)19-10-18(29-25-19)14-26(13-16-5-8-22-9-6-16)21(28)17-4-3-7-23-12-17/h3-10,12,15H,11,13-14H2,1-2H3,(H,24,27)