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

Systemtic Name: 1-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-5-methyl-N-propyl-1,2,3-triazole-4-carboxamide Openeye Name: 1-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-5-methyl-N-propyl-triazole-4-carboxamide CAS Name: 1-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-5-methyl-N-propyl-4-triazolecarboxamide IUPAC Name: 1-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-5-methyl-N-propyltriazole-4-carboxamide Traditional Name: 1-[3-(4-chlorophenyl)anthranil-5-yl]-5-methyl-N-propyl-triazole-4-carboxamide Formula: C20H18ClN5O2 MolecularWeight: 395.84222

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=C(N(N=N1)C2=CC3=C(ON=C3C=C2)C4=CC=C(C=C4)Cl)C

Isomeric SMILES

CCCNC(=O)C1=C(N(N=N1)C2=CC3=C(ON=C3C=C2)C4=CC=C(C=C4)Cl)C

InChI

InChI=1S/C20H18ClN5O2/c1-3-10-22-20(27)18-12(2)26(25-23-18)15-8-9-17-16(11-15)19(28-24-17)13-4-6-14(21)7-5-13/h4-9,11H,3,10H2,1-2H3,(H,22,27)