3-[[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methylamino]methyl]benzenecarbonitrile

Systemtic Name: 3-[[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methylamino]methyl]benzenecarbonitrile Openeye Name: 3-[[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methylamino]methyl]benzonitrile CAS Name: 3-[[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methylamino]methyl]benzonitrile IUPAC Name: 3-[[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methylamino]methyl]benzonitrile Traditional Name: 3-[[[4-(1,2,4-triazol-1-ylmethyl)benzyl]amino]methyl]benzonitrile Formula: C18H17N5 MolecularWeight: 303.36108

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CNCC2=CC=C(C=C2)CN3C=NC=N3)C#N

Isomeric SMILES

C1=CC(=CC(=C1)CNCC2=CC=C(C=C2)CN3C=NC=N3)C#N

InChI

InChI=1S/C18H17N5/c19-9-17-2-1-3-18(8-17)11-20-10-15-4-6-16(7-5-15)12-23-14-21-13-22-23/h1-8,13-14,20H,10-12H2