tert-butyl N-[4-[4-cyano-3-(dimethylaminomethylideneamino)-1H-pyrazol-5-yl]phenyl]carbamate

Systemtic Name: tert-butyl N-[4-[4-cyano-3-(dimethylaminomethylideneamino)-1H-pyrazol-5-yl]phenyl]carbamate Openeye Name: tert-butyl N-[4-[4-cyano-3-(dimethylaminomethyleneamino)-1H-pyrazol-5-yl]phenyl]carbamate CAS Name: N-[4-[4-cyano-3-(dimethylaminomethylideneamino)-1H-pyrazol-5-yl]phenyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-[4-cyano-3-(dimethylaminomethylideneamino)-1H-pyrazol-5-yl]phenyl]carbamate Traditional Name: N-[4-[4-cyano-3-(dimethylaminomethyleneamino)-1H-pyrazol-5-yl]phenyl]carbamic acid tert-butyl ester Formula: C18H22N6O2 MolecularWeight: 354.40628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=CC=C(C=C1)C2=C(C(=NN2)N=CN(C)C)C#N

Isomeric SMILES

CC(C)(C)OC(=O)NC1=CC=C(C=C1)C2=C(C(=NN2)N=CN(C)C)C#N

InChI

InChI=1S/C18H22N6O2/c1-18(2,3)26-17(25)21-13-8-6-12(7-9-13)15-14(10-19)16(23-22-15)20-11-24(4)5/h6-9,11H,1-5H3,(H,21,25)(H,22,23)