3-methyl-N-[[3-methyl-4-[4-(1H-1,2,4-triazol-5-yl)phenyl]phenyl]methyl]butan-1-amine

Systemtic Name: 3-methyl-N-[[3-methyl-4-[4-(1H-1,2,4-triazol-5-yl)phenyl]phenyl]methyl]butan-1-amine Openeye Name: 3-methyl-N-[[3-methyl-4-[4-(1H-1,2,4-triazol-5-yl)phenyl]phenyl]methyl]butan-1-amine CAS Name: 3-methyl-N-[[3-methyl-4-[4-(1H-1,2,4-triazol-5-yl)phenyl]phenyl]methyl]-1-butanamine IUPAC Name: 3-methyl-N-[[3-methyl-4-[4-(1H-1,2,4-triazol-5-yl)phenyl]phenyl]methyl]butan-1-amine Traditional Name: isoamyl-[3-methyl-4-[4-(1H-1,2,4-triazol-5-yl)phenyl]benzyl]amine Formula: C21H26N4 MolecularWeight: 334.45794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CNCCC(C)C)C2=CC=C(C=C2)C3=NC=NN3

Isomeric SMILES

CC1=C(C=CC(=C1)CNCCC(C)C)C2=CC=C(C=C2)C3=NC=NN3

InChI

InChI=1S/C21H26N4/c1-15(2)10-11-22-13-17-4-9-20(16(3)12-17)18-5-7-19(8-6-18)21-23-14-24-25-21/h4-9,12,14-15,22H,10-11,13H2,1-3H3,(H,23,24,25)