2-azanyl-4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-1-prop-2-ynyl-6-quinazolin-7-yl-piperidine-4-carboxylic acid

Systemtic Name: 2-azanyl-4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-1-prop-2-ynyl-6-quinazolin-7-yl-piperidine-4-carboxylic acid Openeye Name: 2-amino-4-(3-chloro-4-fluoro-anilino)-1-prop-2-ynyl-6-quinazolin-7-yl-piperidine-4-carboxylic acid CAS Name: 2-amino-4-(3-chloro-4-fluoroanilino)-1-prop-2-ynyl-6-(7-quinazolinyl)-4-piperidinecarboxylic acid IUPAC Name: 2-amino-4-(3-chloro-4-fluoroanilino)-1-prop-2-ynyl-6-quinazolin-7-ylpiperidine-4-carboxylic acid Traditional Name: 2-amino-4-(3-chloro-4-fluoro-anilino)-1-propargyl-6-quinazolin-7-yl-isonipecotic acid Formula: C23H21ClFN5O2 MolecularWeight: 453.896543

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C(CC(CC1N)(C(=O)O)NC2=CC(=C(C=C2)F)Cl)C3=CC4=NC=NC=C4C=C3

Isomeric SMILES

C#CCN1C(CC(CC1N)(C(=O)O)NC2=CC(=C(C=C2)F)Cl)C3=CC4=NC=NC=C4C=C3

InChI

InChI=1S/C23H21ClFN5O2/c1-2-7-30-20(14-3-4-15-12-27-13-28-19(15)8-14)10-23(22(31)32,11-21(30)26)29-16-5-6-18(25)17(24)9-16/h1,3-6,8-9,12-13,20-21,29H,7,10-11,26H2,(H,31,32)