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

Systemtic Name: tert-butyl N-[4-[[4-cyano-3-(dimethylaminomethylideneamino)-1H-pyrazol-5-yl]amino]phenyl]carbamate Openeye Name: tert-butyl N-[4-[[4-cyano-3-(dimethylaminomethyleneamino)-1H-pyrazol-5-yl]amino]phenyl]carbamate CAS Name: N-[4-[[4-cyano-3-(dimethylaminomethylideneamino)-1H-pyrazol-5-yl]amino]phenyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-[[4-cyano-3-(dimethylaminomethylideneamino)-1H-pyrazol-5-yl]amino]phenyl]carbamate Traditional Name: N-[4-[[4-cyano-3-(dimethylaminomethyleneamino)-1H-pyrazol-5-yl]amino]phenyl]carbamic acid tert-butyl ester Formula: C18H23N7O2 MolecularWeight: 369.42092

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=CC=C(C=C1)NC2=C(C(=NN2)N=CN(C)C)C#N

Isomeric SMILES

CC(C)(C)OC(=O)NC1=CC=C(C=C1)NC2=C(C(=NN2)N=CN(C)C)C#N

InChI

InChI=1S/C18H23N7O2/c1-18(2,3)27-17(26)22-13-8-6-12(7-9-13)21-16-14(10-19)15(23-24-16)20-11-25(4)5/h6-9,11H,1-5H3,(H,22,26)(H2,21,23,24)