[5-(2-chlorophenyl)-3-methoxy-1,2,4-triazol-1-yl]-(4-pentylphenyl)methanone

Systemtic Name: [5-(2-chlorophenyl)-3-methoxy-1,2,4-triazol-1-yl]-(4-pentylphenyl)methanone Openeye Name: [5-(2-chlorophenyl)-3-methoxy-1,2,4-triazol-1-yl]-(4-pentylphenyl)methanone CAS Name: [5-(2-chlorophenyl)-3-methoxy-1,2,4-triazol-1-yl]-(4-pentylphenyl)methanone IUPAC Name: [5-(2-chlorophenyl)-3-methoxy-1,2,4-triazol-1-yl]-(4-pentylphenyl)methanone Traditional Name: (4-amylphenyl)-[5-(2-chlorophenyl)-3-methoxy-1,2,4-triazol-1-yl]methanone Formula: C21H22ClN3O2 MolecularWeight: 383.87128

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C(=O)N2C(=NC(=N2)OC)C3=CC=CC=C3Cl

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C(=O)N2C(=NC(=N2)OC)C3=CC=CC=C3Cl

InChI

InChI=1S/C21H22ClN3O2/c1-3-4-5-8-15-11-13-16(14-12-15)20(26)25-19(23-21(24-25)27-2)17-9-6-7-10-18(17)22/h6-7,9-14H,3-5,8H2,1-2H3