N-[4-(4-bromophenyl)carbonylphenyl]-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide

Systemtic Name: N-[4-(4-bromophenyl)carbonylphenyl]-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide Openeye Name: N-[4-(4-bromobenzoyl)phenyl]-3-(3-pyridyl)-4,5-dihydroisoxazole-5-carboxamide CAS Name: N-[4-[(4-bromophenyl)-oxomethyl]phenyl]-3-(3-pyridinyl)-4,5-dihydroisoxazole-5-carboxamide IUPAC Name: N-[4-(4-bromobenzoyl)phenyl]-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide Traditional Name: N-[4-(4-bromobenzoyl)phenyl]-3-(3-pyridyl)-2-isoxazoline-5-carboxamide Formula: C22H16BrN3O3 MolecularWeight: 450.28474

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Descriptors Computed from Structure

Canonical SMILES:

C1C(ON=C1C2=CN=CC=C2)C(=O)NC3=CC=C(C=C3)C(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

C1C(ON=C1C2=CN=CC=C2)C(=O)NC3=CC=C(C=C3)C(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C22H16BrN3O3/c23-17-7-3-14(4-8-17)21(27)15-5-9-18(10-6-15)25-22(28)20-12-19(26-29-20)16-2-1-11-24-13-16/h1-11,13,20H,12H2,(H,25,28)