N-[4-chloranyl-3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]pyridine-4-carboxamide

Systemtic Name: N-[4-chloranyl-3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]pyridine-4-carboxamide Openeye Name: N-[4-chloro-3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]pyridine-4-carboxamide CAS Name: N-[4-chloro-3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-4-pyridinecarboxamide IUPAC Name: N-[4-chloro-3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]pyridine-4-carboxamide Traditional Name: N-[4-chloro-3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]isonicotinamide Formula: C21H16ClN3O2 MolecularWeight: 377.82364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)OC(=N2)C3=C(C=CC(=C3)NC(=O)C4=CC=NC=C4)Cl

Isomeric SMILES

CC1=CC2=C(C=C1C)OC(=N2)C3=C(C=CC(=C3)NC(=O)C4=CC=NC=C4)Cl

InChI

InChI=1S/C21H16ClN3O2/c1-12-9-18-19(10-13(12)2)27-21(25-18)16-11-15(3-4-17(16)22)24-20(26)14-5-7-23-8-6-14/h3-11H,1-2H3,(H,24,26)