4-[(3-butyl-5-pyridin-3-yl-1,2,4-triazol-4-yl)methyl]aniline

Systemtic Name: 4-[(3-butyl-5-pyridin-3-yl-1,2,4-triazol-4-yl)methyl]aniline Openeye Name: 4-[[3-butyl-5-(3-pyridyl)-1,2,4-triazol-4-yl]methyl]aniline CAS Name: 4-[[3-butyl-5-(3-pyridinyl)-1,2,4-triazol-4-yl]methyl]aniline IUPAC Name: 4-[(3-butyl-5-pyridin-3-yl-1,2,4-triazol-4-yl)methyl]aniline Traditional Name: [4-[[3-butyl-5-(3-pyridyl)-1,2,4-triazol-4-yl]methyl]phenyl]amine Formula: C18H21N5 MolecularWeight: 307.39284

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN=C(N1CC2=CC=C(C=C2)N)C3=CN=CC=C3

Isomeric SMILES

CCCCC1=NN=C(N1CC2=CC=C(C=C2)N)C3=CN=CC=C3

InChI

InChI=1S/C18H21N5/c1-2-3-6-17-21-22-18(15-5-4-11-20-12-15)23(17)13-14-7-9-16(19)10-8-14/h4-5,7-12H,2-3,6,13,19H2,1H3