3-chloranyl-N-(5-methylheptan-3-yl)-2-(1,2,4-triazol-1-yl)aniline

Systemtic Name: 3-chloranyl-N-(5-methylheptan-3-yl)-2-(1,2,4-triazol-1-yl)aniline Openeye Name: 3-chloro-N-(1-ethyl-3-methyl-pentyl)-2-(1,2,4-triazol-1-yl)aniline CAS Name: 3-chloro-N-(5-methylheptan-3-yl)-2-(1,2,4-triazol-1-yl)aniline IUPAC Name: 3-chloro-N-(5-methylheptan-3-yl)-2-(1,2,4-triazol-1-yl)aniline Traditional Name: [3-chloro-2-(1,2,4-triazol-1-yl)phenyl]-(1-ethyl-3-methyl-pentyl)amine Formula: C16H23ClN4 MolecularWeight: 306.83362

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CC(CC)NC1=C(C(=CC=C1)Cl)N2C=NC=N2

Isomeric SMILES

CCC(C)CC(CC)NC1=C(C(=CC=C1)Cl)N2C=NC=N2

InChI

InChI=1S/C16H23ClN4/c1-4-12(3)9-13(5-2)20-15-8-6-7-14(17)16(15)21-11-18-10-19-21/h6-8,10-13,20H,4-5,9H2,1-3H3