(4-butoxyphenyl)-[5-(3-chlorophenyl)-3-propoxy-1,2,4-triazol-1-yl]methanone

Systemtic Name: (4-butoxyphenyl)-[5-(3-chlorophenyl)-3-propoxy-1,2,4-triazol-1-yl]methanone Openeye Name: (4-butoxyphenyl)-[5-(3-chlorophenyl)-3-propoxy-1,2,4-triazol-1-yl]methanone CAS Name: (4-butoxyphenyl)-[5-(3-chlorophenyl)-3-propoxy-1,2,4-triazol-1-yl]methanone IUPAC Name: (4-butoxyphenyl)-[5-(3-chlorophenyl)-3-propoxy-1,2,4-triazol-1-yl]methanone Traditional Name: (4-butoxyphenyl)-[5-(3-chlorophenyl)-3-propoxy-1,2,4-triazol-1-yl]methanone Formula: C22H24ClN3O3 MolecularWeight: 413.89726

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)N2C(=NC(=N2)OCCC)C3=CC(=CC=C3)Cl

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)N2C(=NC(=N2)OCCC)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C22H24ClN3O3/c1-3-5-14-28-19-11-9-16(10-12-19)21(27)26-20(17-7-6-8-18(23)15-17)24-22(25-26)29-13-4-2/h6-12,15H,3-5,13-14H2,1-2H3