tert-butyl (NZ)-N-[azanyl-[(5-propyl-1-quinolin-6-yl-pyrazol-4-yl)carbonylamino]methylidene]carbamate

Systemtic Name: tert-butyl (NZ)-N-[azanyl-[(5-propyl-1-quinolin-6-yl-pyrazol-4-yl)carbonylamino]methylidene]carbamate Openeye Name: tert-butyl (NZ)-N-[amino-[[5-propyl-1-(6-quinolyl)pyrazole-4-carbonyl]amino]methylene]carbamate CAS Name: (NZ)-N-[amino-[[oxo-[5-propyl-1-(6-quinolinyl)-4-pyrazolyl]methyl]amino]methylidene]carbamic acid tert-butyl ester IUPAC Name: tert-butyl (NZ)-N-[amino-[(5-propyl-1-quinolin-6-ylpyrazole-4-carbonyl)amino]methylidene]carbamate Traditional Name: (NZ)-N-[amino-[[5-propyl-1-(6-quinolyl)pyrazole-4-carbonyl]amino]methylene]carbamic acid tert-butyl ester Formula: C22H26N6O3 MolecularWeight: 422.48024

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=NN1C2=CC3=C(C=C2)N=CC=C3)C(=O)NC(=NC(=O)OC(C)(C)C)N

Isomeric SMILES

CCCC1=C(C=NN1C2=CC3=C(C=C2)N=CC=C3)C(=O)N/C(=N\C(=O)OC(C)(C)C)/N

InChI

InChI=1S/C22H26N6O3/c1-5-7-18-16(19(29)26-20(23)27-21(30)31-22(2,3)4)13-25-28(18)15-9-10-17-14(12-15)8-6-11-24-17/h6,8-13H,5,7H2,1-4H3,(H3,23,26,27,29,30)