4-[3-[(E)-3,3-dimethylbutan-2-ylideneamino]-5-methoxy-indazol-2-yl]benzenecarbonitrile

Systemtic Name: 4-[3-[(E)-3,3-dimethylbutan-2-ylideneamino]-5-methoxy-indazol-2-yl]benzenecarbonitrile Openeye Name: 4-[5-methoxy-3-[(E)-1,2,2-trimethylpropylideneamino]indazol-2-yl]benzonitrile CAS Name: 4-[3-[(E)-3,3-dimethylbutan-2-ylideneamino]-5-methoxy-2-indazolyl]benzonitrile IUPAC Name: 4-[3-[(E)-3,3-dimethylbutan-2-ylideneamino]-5-methoxyindazol-2-yl]benzonitrile Traditional Name: 4-[5-methoxy-3-[(E)-1,2,2-trimethylpropylideneamino]indazol-2-yl]benzonitrile Formula: C21H22N4O MolecularWeight: 346.42558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=NC1=C2C=C(C=CC2=NN1C3=CC=C(C=C3)C#N)OC)C(C)(C)C

Isomeric SMILES

C/C(=N\C1=C2C=C(C=CC2=NN1C3=CC=C(C=C3)C#N)OC)/C(C)(C)C

InChI

InChI=1S/C21H22N4O/c1-14(21(2,3)4)23-20-18-12-17(26-5)10-11-19(18)24-25(20)16-8-6-15(13-22)7-9-16/h6-12H,1-5H3/b23-14+