4-[4-[(3-chloranyl-2-cyano-phenyl)methyl]phenyl]-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide

Systemtic Name: 4-[4-[(3-chloranyl-2-cyano-phenyl)methyl]phenyl]-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide Openeye Name: 4-[4-[(3-chloro-2-cyano-phenyl)methyl]phenyl]-3-(3-pyridyl)-4,5-dihydroisoxazole-5-carboxamide CAS Name: 4-[4-[(3-chloro-2-cyanophenyl)methyl]phenyl]-3-(3-pyridinyl)-4,5-dihydroisoxazole-5-carboxamide IUPAC Name: 4-[4-[(3-chloro-2-cyanophenyl)methyl]phenyl]-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide Traditional Name: 4-[4-(3-chloro-2-cyano-benzyl)phenyl]-3-(3-pyridyl)-2-isoxazoline-5-carboxamide Formula: C23H17ClN4O2 MolecularWeight: 416.85968

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)Cl)C#N)CC2=CC=C(C=C2)C3C(ON=C3C4=CN=CC=C4)C(=O)N

Isomeric SMILES

C1=CC(=C(C(=C1)Cl)C#N)CC2=CC=C(C=C2)C3C(ON=C3C4=CN=CC=C4)C(=O)N

InChI

InChI=1S/C23H17ClN4O2/c24-19-5-1-3-16(18(19)12-25)11-14-6-8-15(9-7-14)20-21(17-4-2-10-27-13-17)28-30-22(20)23(26)29/h1-10,13,20,22H,11H2,(H2,26,29)