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

Systemtic Name: N-[1-[(4-bromophenyl)methyl]pyrazol-3-yl]-3-(1-ethyl-3-methyl-pyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide Openeye Name: N-[1-[(4-bromophenyl)methyl]pyrazol-3-yl]-3-(1-ethyl-3-methyl-pyrazol-4-yl)-4,5-dihydroisoxazole-5-carboxamide CAS Name: N-[1-[(4-bromophenyl)methyl]-3-pyrazolyl]-3-(1-ethyl-3-methyl-4-pyrazolyl)-4,5-dihydroisoxazole-5-carboxamide IUPAC Name: N-[1-[(4-bromophenyl)methyl]pyrazol-3-yl]-3-(1-ethyl-3-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide Traditional Name: N-[1-(4-bromobenzyl)pyrazol-3-yl]-3-(1-ethyl-3-methyl-pyrazol-4-yl)-2-isoxazoline-5-carboxamide Formula: C20H21BrN6O2 MolecularWeight: 457.32374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C)C2=NOC(C2)C(=O)NC3=NN(C=C3)CC4=CC=C(C=C4)Br

Isomeric SMILES

CCN1C=C(C(=N1)C)C2=NOC(C2)C(=O)NC3=NN(C=C3)CC4=CC=C(C=C4)Br

InChI

InChI=1S/C20H21BrN6O2/c1-3-26-12-16(13(2)23-26)17-10-18(29-25-17)20(28)22-19-8-9-27(24-19)11-14-4-6-15(21)7-5-14/h4-9,12,18H,3,10-11H2,1-2H3,(H,22,24,28)