1-(3-butoxy-5-phenyl-1,2,4-triazol-1-yl)-2-ethyl-hexan-1-one

Systemtic Name: 1-(3-butoxy-5-phenyl-1,2,4-triazol-1-yl)-2-ethyl-hexan-1-one Openeye Name: 1-(3-butoxy-5-phenyl-1,2,4-triazol-1-yl)-2-ethyl-hexan-1-one CAS Name: 1-(3-butoxy-5-phenyl-1,2,4-triazol-1-yl)-2-ethyl-1-hexanone IUPAC Name: 1-(3-butoxy-5-phenyl-1,2,4-triazol-1-yl)-2-ethylhexan-1-one Traditional Name: 1-(3-butoxy-5-phenyl-1,2,4-triazol-1-yl)-2-ethyl-hexan-1-one Formula: C20H29N3O2 MolecularWeight: 343.46316

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)N1C(=NC(=N1)OCCCC)C2=CC=CC=C2

Isomeric SMILES

CCCCC(CC)C(=O)N1C(=NC(=N1)OCCCC)C2=CC=CC=C2

InChI

InChI=1S/C20H29N3O2/c1-4-7-12-16(6-3)19(24)23-18(17-13-10-9-11-14-17)21-20(22-23)25-15-8-5-2/h9-11,13-14,16H,4-8,12,15H2,1-3H3