1-[5-(3-methoxyphenyl)-3-propan-2-yloxy-1,2,4-triazol-1-yl]nonan-1-one

Systemtic Name: 1-[5-(3-methoxyphenyl)-3-propan-2-yloxy-1,2,4-triazol-1-yl]nonan-1-one Openeye Name: 1-[3-isopropoxy-5-(3-methoxyphenyl)-1,2,4-triazol-1-yl]nonan-1-one CAS Name: 1-[5-(3-methoxyphenyl)-3-propan-2-yloxy-1,2,4-triazol-1-yl]-1-nonanone IUPAC Name: 1-[5-(3-methoxyphenyl)-3-propan-2-yloxy-1,2,4-triazol-1-yl]nonan-1-one Traditional Name: 1-[3-isopropoxy-5-(3-methoxyphenyl)-1,2,4-triazol-1-yl]nonan-1-one Formula: C21H31N3O3 MolecularWeight: 373.48914

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(=O)N1C(=NC(=N1)OC(C)C)C2=CC(=CC=C2)OC

Isomeric SMILES

CCCCCCCCC(=O)N1C(=NC(=N1)OC(C)C)C2=CC(=CC=C2)OC

InChI

InChI=1S/C21H31N3O3/c1-5-6-7-8-9-10-14-19(25)24-20(22-21(23-24)27-16(2)3)17-12-11-13-18(15-17)26-4/h11-13,15-16H,5-10,14H2,1-4H3