1-[6-chloranyl-4-(pyridin-3-ylmethylamino)quinazolin-2-yl]piperidine-4-carboxylic acid

Systemtic Name: 1-[6-chloranyl-4-(pyridin-3-ylmethylamino)quinazolin-2-yl]piperidine-4-carboxylic acid Openeye Name: 1-[6-chloro-4-(3-pyridylmethylamino)quinazolin-2-yl]piperidine-4-carboxylic acid CAS Name: 1-[6-chloro-4-(3-pyridinylmethylamino)-2-quinazolinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[6-chloro-4-(pyridin-3-ylmethylamino)quinazolin-2-yl]piperidine-4-carboxylic acid Traditional Name: 1-[6-chloro-4-(3-pyridylmethylamino)quinazolin-2-yl]isonipecotic acid Formula: C20H20ClN5O2 MolecularWeight: 397.8581

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C2=NC3=C(C=C(C=C3)Cl)C(=N2)NCC4=CN=CC=C4

Isomeric SMILES

C1CN(CCC1C(=O)O)C2=NC3=C(C=C(C=C3)Cl)C(=N2)NCC4=CN=CC=C4

InChI

InChI=1S/C20H20ClN5O2/c21-15-3-4-17-16(10-15)18(23-12-13-2-1-7-22-11-13)25-20(24-17)26-8-5-14(6-9-26)19(27)28/h1-4,7,10-11,14H,5-6,8-9,12H2,(H,27,28)(H,23,24,25)