N-[(4-methylphenyl)methyl]-5-[[prop-2-enyl(pyridin-3-ylcarbonyl)amino]methyl]-1,2-oxazole-3-carboxamide

Systemtic Name: N-[(4-methylphenyl)methyl]-5-[[prop-2-enyl(pyridin-3-ylcarbonyl)amino]methyl]-1,2-oxazole-3-carboxamide Openeye Name: 5-[[allyl(pyridine-3-carbonyl)amino]methyl]-N-(p-tolylmethyl)isoxazole-3-carboxamide CAS Name: N-[(4-methylphenyl)methyl]-5-[[[oxo(3-pyridinyl)methyl]-prop-2-enylamino]methyl]-3-isoxazolecarboxamide IUPAC Name: N-[(4-methylphenyl)methyl]-5-[[prop-2-enyl(pyridine-3-carbonyl)amino]methyl]-1,2-oxazole-3-carboxamide Traditional Name: 5-[[allyl(nicotinoyl)amino]methyl]-N-(4-methylbenzyl)isoxazole-3-carboxamide Formula: C22H22N4O3 MolecularWeight: 390.43508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C2=NOC(=C2)CN(CC=C)C(=O)C3=CN=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C2=NOC(=C2)CN(CC=C)C(=O)C3=CN=CC=C3

InChI

InChI=1S/C22H22N4O3/c1-3-11-26(22(28)18-5-4-10-23-14-18)15-19-12-20(25-29-19)21(27)24-13-17-8-6-16(2)7-9-17/h3-10,12,14H,1,11,13,15H2,2H3,(H,24,27)