2-[4-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]phenoxy]ethanenitrile

Systemtic Name: 2-[4-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]phenoxy]ethanenitrile Openeye Name: 2-[4-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]phenoxy]acetonitrile CAS Name: 2-[4-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]phenoxy]acetonitrile IUPAC Name: 2-[4-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]phenoxy]acetonitrile Traditional Name: 2-[4-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]phenoxy]acetonitrile Formula: C16H18N4O MolecularWeight: 282.34032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(CCC2)NC3=CC=C(C=C3)OCC#N

Isomeric SMILES

CN1C2=C(C=N1)C(CCC2)NC3=CC=C(C=C3)OCC#N

InChI

InChI=1S/C16H18N4O/c1-20-16-4-2-3-15(14(16)11-18-20)19-12-5-7-13(8-6-12)21-10-9-17/h5-8,11,15,19H,2-4,10H2,1H3