4-[[4-[(3-chloranyl-2-fluoranyl-phenyl)amino]-7-methoxy-quinazolin-6-yl]oxymethyl]piperidine-1-carbonitrile

Systemtic Name: 4-[[4-[(3-chloranyl-2-fluoranyl-phenyl)amino]-7-methoxy-quinazolin-6-yl]oxymethyl]piperidine-1-carbonitrile Openeye Name: 4-[[4-(3-chloro-2-fluoro-anilino)-7-methoxy-quinazolin-6-yl]oxymethyl]piperidine-1-carbonitrile CAS Name: 4-[[4-(3-chloro-2-fluoroanilino)-7-methoxy-6-quinazolinyl]oxymethyl]-1-piperidinecarbonitrile IUPAC Name: 4-[[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxymethyl]piperidine-1-carbonitrile Traditional Name: 4-[[4-(3-chloro-2-fluoro-anilino)-7-methoxy-quinazolin-6-yl]oxymethyl]piperidine-1-carbonitrile 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)OCC4CCN(CC4)C#N

Isomeric SMILES

COC1=C(C=C2C(=C1)N=CN=C2NC3=C(C(=CC=C3)Cl)F)OCC4CCN(CC4)C#N

InChI

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