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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23ClN4/c1-3-4-5-6-8-13(2)20-15-10-7-9-14(17)16(15)21-12-18-11-19-21/h7,9-13,20H,3-6,8H2,1-2H3