methyl 3-[(2-piperidin-1-ylquinazolin-4-yl)amino]-1H-pyrazole-5-carboxylate

Systemtic Name: methyl 3-[(2-piperidin-1-ylquinazolin-4-yl)amino]-1H-pyrazole-5-carboxylate Openeye Name: methyl 3-[[2-(1-piperidyl)quinazolin-4-yl]amino]-1H-pyrazole-5-carboxylate CAS Name: 3-[[2-(1-piperidinyl)-4-quinazolinyl]amino]-1H-pyrazole-5-carboxylic acid methyl ester IUPAC Name: methyl 3-[(2-piperidin-1-ylquinazolin-4-yl)amino]-1H-pyrazole-5-carboxylate Traditional Name: 3-[(2-piperidinoquinazolin-4-yl)amino]-1H-pyrazole-5-carboxylic acid methyl ester Formula: C18H20N6O2 MolecularWeight: 352.3904

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=NN1)NC2=NC(=NC3=CC=CC=C32)N4CCCCC4

Isomeric SMILES

COC(=O)C1=CC(=NN1)NC2=NC(=NC3=CC=CC=C32)N4CCCCC4

InChI

InChI=1S/C18H20N6O2/c1-26-17(25)14-11-15(23-22-14)20-16-12-7-3-4-8-13(12)19-18(21-16)24-9-5-2-6-10-24/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H2,19,20,21,22,23)