N-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-methoxy-quinazolin-6-yl]-2-piperidin-4-ylidene-ethanamide

Systemtic Name: N-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-methoxy-quinazolin-6-yl]-2-piperidin-4-ylidene-ethanamide Openeye Name: N-[4-(3-chloro-4-fluoro-anilino)-7-methoxy-quinazolin-6-yl]-2-(4-piperidylidene)acetamide CAS Name: N-[4-(3-chloro-4-fluoroanilino)-7-methoxy-6-quinazolinyl]-2-(4-piperidinylidene)acetamide IUPAC Name: N-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]-2-piperidin-4-ylideneacetamide Traditional Name: N-[4-(3-chloro-4-fluoro-anilino)-7-methoxy-quinazolin-6-yl]-2-(4-piperidylidene)acetamide Formula: C22H21ClFN5O2 MolecularWeight: 441.885843

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)NC(=O)C=C4CCNCC4

Isomeric SMILES

COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)NC(=O)C=C4CCNCC4

InChI

InChI=1S/C22H21ClFN5O2/c1-31-20-11-18-15(10-19(20)29-21(30)8-13-4-6-25-7-5-13)22(27-12-26-18)28-14-2-3-17(24)16(23)9-14/h2-3,8-12,25H,4-7H2,1H3,(H,29,30)(H,26,27,28)