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

Systemtic Name: 1-[6-chloranyl-4-(pyridin-4-ylmethylamino)quinazolin-2-yl]piperidine-4-carboxylic acid Openeye Name: 1-[6-chloro-4-(4-pyridylmethylamino)quinazolin-2-yl]piperidine-4-carboxylic acid CAS Name: 1-[6-chloro-4-(pyridin-4-ylmethylamino)-2-quinazolinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[6-chloro-4-(pyridin-4-ylmethylamino)quinazolin-2-yl]piperidine-4-carboxylic acid Traditional Name: 1-[6-chloro-4-(4-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=CC=NC=C4

Isomeric SMILES

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

InChI

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