N-[(3-bromophenyl)methyl]-5-phenyl-2-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]pyrazole-3-carboxamide

Systemtic Name: N-[(3-bromophenyl)methyl]-5-phenyl-2-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]pyrazole-3-carboxamide Openeye Name: N-[(3-bromophenyl)methyl]-5-phenyl-2-[[3-(3-pyridyl)-4,5-dihydroisoxazol-5-yl]methyl]pyrazole-3-carboxamide CAS Name: N-[(3-bromophenyl)methyl]-5-phenyl-2-[[3-(3-pyridinyl)-4,5-dihydroisoxazol-5-yl]methyl]-3-pyrazolecarboxamide IUPAC Name: N-[(3-bromophenyl)methyl]-5-phenyl-2-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]pyrazole-3-carboxamide Traditional Name: N-(3-bromobenzyl)-5-phenyl-2-[[3-(3-pyridyl)-2-isoxazolin-5-yl]methyl]pyrazole-3-carboxamide Formula: C26H22BrN5O2 MolecularWeight: 516.38918

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Descriptors Computed from Structure

Canonical SMILES:

C1C(ON=C1C2=CN=CC=C2)CN3C(=CC(=N3)C4=CC=CC=C4)C(=O)NCC5=CC(=CC=C5)Br

Isomeric SMILES

C1C(ON=C1C2=CN=CC=C2)CN3C(=CC(=N3)C4=CC=CC=C4)C(=O)NCC5=CC(=CC=C5)Br

InChI

InChI=1S/C26H22BrN5O2/c27-21-10-4-6-18(12-21)15-29-26(33)25-14-23(19-7-2-1-3-8-19)30-32(25)17-22-13-24(31-34-22)20-9-5-11-28-16-20/h1-12,14,16,22H,13,15,17H2,(H,29,33)