2-bromanyl-16-methyl-1-(1,2,4-triazol-1-yl)heptadecan-1-one

Systemtic Name: 2-bromanyl-16-methyl-1-(1,2,4-triazol-1-yl)heptadecan-1-one Openeye Name: 2-bromo-16-methyl-1-(1,2,4-triazol-1-yl)heptadecan-1-one CAS Name: 2-bromo-16-methyl-1-(1,2,4-triazol-1-yl)-1-heptadecanone IUPAC Name: 2-bromo-16-methyl-1-(1,2,4-triazol-1-yl)heptadecan-1-one Traditional Name: 2-bromo-16-methyl-1-(1,2,4-triazol-1-yl)heptadecan-1-one Formula: C20H36BrN3O MolecularWeight: 414.42334

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCCCCCCCC(C(=O)N1C=NC=N1)Br

Isomeric SMILES

CC(C)CCCCCCCCCCCCCC(C(=O)N1C=NC=N1)Br

InChI

InChI=1S/C20H36BrN3O/c1-18(2)14-12-10-8-6-4-3-5-7-9-11-13-15-19(21)20(25)24-17-22-16-23-24/h16-19H,3-15H2,1-2H3