(4-azanylquinazolin-2-yl)methyl 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate

Systemtic Name: (4-azanylquinazolin-2-yl)methyl 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate Openeye Name: (4-aminoquinazolin-2-yl)methyl 1-(5-cyano-2-pyridyl)piperidine-4-carboxylate CAS Name: 1-(5-cyano-2-pyridinyl)-4-piperidinecarboxylic acid (4-amino-2-quinazolinyl)methyl ester IUPAC Name: (4-aminoquinazolin-2-yl)methyl 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate Traditional Name: 1-(5-cyano-2-pyridyl)isonipecotic acid (4-aminoquinazolin-2-yl)methyl ester Formula: C21H20N6O2 MolecularWeight: 388.4225

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC2=NC3=CC=CC=C3C(=N2)N)C4=NC=C(C=C4)C#N

Isomeric SMILES

C1CN(CCC1C(=O)OCC2=NC3=CC=CC=C3C(=N2)N)C4=NC=C(C=C4)C#N

InChI

InChI=1S/C21H20N6O2/c22-11-14-5-6-19(24-12-14)27-9-7-15(8-10-27)21(28)29-13-18-25-17-4-2-1-3-16(17)20(23)26-18/h1-6,12,15H,7-10,13H2,(H2,23,25,26)