2-[4-[4-[(3-chloranyl-2-fluoranyl-phenyl)amino]-7-methoxy-quinazolin-6-yl]oxypiperidin-1-yl]ethanenitrile

Systemtic Name: 2-[4-[4-[(3-chloranyl-2-fluoranyl-phenyl)amino]-7-methoxy-quinazolin-6-yl]oxypiperidin-1-yl]ethanenitrile Openeye Name: 2-[4-[4-(3-chloro-2-fluoro-anilino)-7-methoxy-quinazolin-6-yl]oxy-1-piperidyl]acetonitrile CAS Name: 2-[4-[[4-(3-chloro-2-fluoroanilino)-7-methoxy-6-quinazolinyl]oxy]-1-piperidinyl]acetonitrile IUPAC Name: 2-[4-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]acetonitrile Traditional Name: 2-[4-[4-(3-chloro-2-fluoro-anilino)-7-methoxy-quinazolin-6-yl]oxypiperidino]acetonitrile Formula: C22H21ClFN5O2 MolecularWeight: 441.885843

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)N=CN=C2NC3=C(C(=CC=C3)Cl)F)OC4CCN(CC4)CC#N

Isomeric SMILES

COC1=C(C=C2C(=C1)N=CN=C2NC3=C(C(=CC=C3)Cl)F)OC4CCN(CC4)CC#N

InChI

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