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

Systemtic Name: N-[4-(chloranyl-cyano-phenyl-methyl)phenyl]-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide hydrochloride Openeye Name: N-[4-(chloro-cyano-phenyl-methyl)phenyl]-3-(3-pyridyl)-4,5-dihydroisoxazole-5-carboxamide hydrochloride CAS Name: N-[4-(chloro-cyano-phenylmethyl)phenyl]-3-(3-pyridinyl)-4,5-dihydroisoxazole-5-carboxamide hydrochloride IUPAC Name: N-[4-(chloro-cyano-phenylmethyl)phenyl]-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide hydrochloride Traditional Name: N-[4-(chloro-cyano-phenyl-methyl)phenyl]-3-(3-pyridyl)-2-isoxazoline-5-carboxamide hydrochloride Formula: C23H18Cl2N4O2 MolecularWeight: 453.32062

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Descriptors Computed from Structure

Canonical SMILES:

C1C(ON=C1C2=CN=CC=C2)C(=O)NC3=CC=C(C=C3)C(C#N)(C4=CC=CC=C4)Cl.Cl

Isomeric SMILES

C1C(ON=C1C2=CN=CC=C2)C(=O)NC3=CC=C(C=C3)C(C#N)(C4=CC=CC=C4)Cl.Cl

InChI

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