tert-butyl N-[[(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)-phenyl-methyl]amino]carbamate

Systemtic Name: tert-butyl N-[[(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)-phenyl-methyl]amino]carbamate Openeye Name: tert-butyl N-[[(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)-phenyl-methyl]amino]carbamate CAS Name: N-[[(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)-phenylmethyl]amino]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)-phenylmethyl]amino]carbamate Traditional Name: N-[[(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-ylidene)-phenyl-methyl]amino]carbamic acid tert-butyl ester Formula: C22H24N4O3 MolecularWeight: 392.45096

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=C(C2=CC=CC=C2)NNC(=O)OC(C)(C)C)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=O)C1=C(C2=CC=CC=C2)NNC(=O)OC(C)(C)C)C3=CC=CC=C3

InChI

InChI=1S/C22H24N4O3/c1-15-18(20(27)26(25-15)17-13-9-6-10-14-17)19(16-11-7-5-8-12-16)23-24-21(28)29-22(2,3)4/h5-14,23H,1-4H3,(H,24,28)