tert-butyl N-(N'-propan-2-ylcarbamimidoyl)-N-[(5-quinolin-6-yl-1H-pyrazol-4-yl)carbonyl]carbamate

Systemtic Name: tert-butyl N-(N'-propan-2-ylcarbamimidoyl)-N-[(5-quinolin-6-yl-1H-pyrazol-4-yl)carbonyl]carbamate Openeye Name: tert-butyl N-(N'-isopropylcarbamimidoyl)-N-[5-(6-quinolyl)-1H-pyrazole-4-carbonyl]carbamate CAS Name: N-[amino(propan-2-ylimino)methyl]-N-[oxo-[5-(6-quinolinyl)-1H-pyrazol-4-yl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-(N'-propan-2-ylcarbamimidoyl)-N-(5-quinolin-6-yl-1H-pyrazole-4-carbonyl)carbamate Traditional Name: N-(N'-isopropylamidino)-N-[5-(6-quinolyl)-1H-pyrazole-4-carbonyl]carbamic acid tert-butyl ester Formula: C22H26N6O3 MolecularWeight: 422.48024

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N=C(N)N(C(=O)C1=C(NN=C1)C2=CC3=C(C=C2)N=CC=C3)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)N=C(N)N(C(=O)C1=C(NN=C1)C2=CC3=C(C=C2)N=CC=C3)C(=O)OC(C)(C)C

InChI

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