ethyl 1-(2-pyridin-4-ylquinazolin-4-yl)piperidine-4-carboxylate

Systemtic Name: ethyl 1-(2-pyridin-4-ylquinazolin-4-yl)piperidine-4-carboxylate Openeye Name: ethyl 1-[2-(4-pyridyl)quinazolin-4-yl]piperidine-4-carboxylate CAS Name: 1-(2-pyridin-4-yl-4-quinazolinyl)-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2-pyridin-4-ylquinazolin-4-yl)piperidine-4-carboxylate Traditional Name: 1-[2-(4-pyridyl)quinazolin-4-yl]isonipecotic acid ethyl ester Formula: C21H22N4O2 MolecularWeight: 362.42498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=NC(=NC3=CC=CC=C32)C4=CC=NC=C4

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=NC(=NC3=CC=CC=C32)C4=CC=NC=C4

InChI

InChI=1S/C21H22N4O2/c1-2-27-21(26)16-9-13-25(14-10-16)20-17-5-3-4-6-18(17)23-19(24-20)15-7-11-22-12-8-15/h3-8,11-12,16H,2,9-10,13-14H2,1H3