N-[1-[(4-bromophenyl)methyl]pyrazol-3-yl]-5-methyl-4-[(3-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide

Systemtic Name: N-[1-[(4-bromophenyl)methyl]pyrazol-3-yl]-5-methyl-4-[(3-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide Openeye Name: N-[1-[(4-bromophenyl)methyl]pyrazol-3-yl]-5-methyl-4-[(3-methylphenoxy)methyl]isoxazole-3-carboxamide CAS Name: N-[1-[(4-bromophenyl)methyl]-3-pyrazolyl]-5-methyl-4-[(3-methylphenoxy)methyl]-3-isoxazolecarboxamide IUPAC Name: N-[1-[(4-bromophenyl)methyl]pyrazol-3-yl]-5-methyl-4-[(3-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide Traditional Name: N-[1-(4-bromobenzyl)pyrazol-3-yl]-5-methyl-4-[(3-methylphenoxy)methyl]isoxazole-3-carboxamide Formula: C23H21BrN4O3 MolecularWeight: 481.34184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC2=C(ON=C2C(=O)NC3=NN(C=C3)CC4=CC=C(C=C4)Br)C

Isomeric SMILES

CC1=CC(=CC=C1)OCC2=C(ON=C2C(=O)NC3=NN(C=C3)CC4=CC=C(C=C4)Br)C

InChI

InChI=1S/C23H21BrN4O3/c1-15-4-3-5-19(12-15)30-14-20-16(2)31-27-22(20)23(29)25-21-10-11-28(26-21)13-17-6-8-18(24)9-7-17/h3-12H,13-14H2,1-2H3,(H,25,26,29)