1-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-5-methyl-N-phenethyl-1,2,3-triazole-4-carboxamide

Systemtic Name: 1-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-5-methyl-N-phenethyl-1,2,3-triazole-4-carboxamide Openeye Name: 1-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-5-methyl-N-phenethyl-triazole-4-carboxamide CAS Name: 1-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-5-methyl-N-phenethyl-4-triazolecarboxamide IUPAC Name: 1-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-5-methyl-N-phenethyltriazole-4-carboxamide Traditional Name: 1-[3-(4-chlorophenyl)anthranil-5-yl]-5-methyl-N-phenethyl-triazole-4-carboxamide Formula: C25H20ClN5O2 MolecularWeight: 457.9116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=NN1C2=CC3=C(ON=C3C=C2)C4=CC=C(C=C4)Cl)C(=O)NCCC5=CC=CC=C5

Isomeric SMILES

CC1=C(N=NN1C2=CC3=C(ON=C3C=C2)C4=CC=C(C=C4)Cl)C(=O)NCCC5=CC=CC=C5

InChI

InChI=1S/C25H20ClN5O2/c1-16-23(25(32)27-14-13-17-5-3-2-4-6-17)28-30-31(16)20-11-12-22-21(15-20)24(33-29-22)18-7-9-19(26)10-8-18/h2-12,15H,13-14H2,1H3,(H,27,32)