4-[4-(2-azanyl-1-chloranyl-2-oxidanylidene-1-phenyl-ethyl)phenyl]-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide hydrochloride

Systemtic Name: 4-[4-(2-azanyl-1-chloranyl-2-oxidanylidene-1-phenyl-ethyl)phenyl]-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide hydrochloride Openeye Name: 4-[4-(2-amino-1-chloro-2-oxo-1-phenyl-ethyl)phenyl]-3-(3-pyridyl)-4,5-dihydroisoxazole-5-carboxamide hydrochloride CAS Name: 4-[4-(2-amino-1-chloro-2-oxo-1-phenylethyl)phenyl]-3-(3-pyridinyl)-4,5-dihydroisoxazole-5-carboxamide hydrochloride IUPAC Name: 4-[4-(2-amino-1-chloro-2-oxo-1-phenylethyl)phenyl]-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide hydrochloride Traditional Name: 4-[4-(2-amino-1-chloro-2-keto-1-phenyl-ethyl)phenyl]-3-(3-pyridyl)-2-isoxazoline-5-carboxamide hydrochloride Formula: C23H20Cl2N4O3 MolecularWeight: 471.3359

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H19ClN4O3.ClH/c24-23(22(26)30,16-6-2-1-3-7-16)17-10-8-14(9-11-17)18-19(15-5-4-12-27-13-15)28-31-20(18)21(25)29;/h1-13,18,20H,(H2,25,29)(H2,26,30);1H