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

Systemtic Name: 4-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-methoxy-quinazolin-6-yl]oxypiperidine-1-carbonitrile Openeye Name: 4-[4-(3-chloro-4-fluoro-anilino)-7-methoxy-quinazolin-6-yl]oxypiperidine-1-carbonitrile CAS Name: 4-[[4-(3-chloro-4-fluoroanilino)-7-methoxy-6-quinazolinyl]oxy]-1-piperidinecarbonitrile IUPAC Name: 4-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidine-1-carbonitrile Traditional Name: 4-[4-(3-chloro-4-fluoro-anilino)-7-methoxy-quinazolin-6-yl]oxypiperidine-1-carbonitrile Formula: C21H19ClFN5O2 MolecularWeight: 427.859263

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19ClFN5O2/c1-29-19-10-18-15(9-20(19)30-14-4-6-28(11-24)7-5-14)21(26-12-25-18)27-13-2-3-17(23)16(22)8-13/h2-3,8-10,12,14H,4-7H2,1H3,(H,25,26,27)