4-[(3-chloranyl-4-fluoranyl-phenyl)-methyl-amino]-6-(2-morpholin-4-ylethylamino)quinoline-3-carbonitrile

Systemtic Name: 4-[(3-chloranyl-4-fluoranyl-phenyl)-methyl-amino]-6-(2-morpholin-4-ylethylamino)quinoline-3-carbonitrile Openeye Name: 4-(3-chloro-4-fluoro-N-methyl-anilino)-6-(2-morpholinoethylamino)quinoline-3-carbonitrile CAS Name: 4-(3-chloro-4-fluoro-N-methylanilino)-6-[2-(4-morpholinyl)ethylamino]-3-quinolinecarbonitrile IUPAC Name: 4-(3-chloro-4-fluoro-N-methylanilino)-6-(2-morpholin-4-ylethylamino)quinoline-3-carbonitrile Traditional Name: 4-(3-chloro-4-fluoro-N-methyl-anilino)-6-(2-morpholinoethylamino)quinoline-3-carbonitrile Formula: C23H23ClFN5O MolecularWeight: 439.913023

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC(=C(C=C1)F)Cl)C2=C3C=C(C=CC3=NC=C2C#N)NCCN4CCOCC4

Isomeric SMILES

CN(C1=CC(=C(C=C1)F)Cl)C2=C3C=C(C=CC3=NC=C2C#N)NCCN4CCOCC4

InChI

InChI=1S/C23H23ClFN5O/c1-29(18-3-4-21(25)20(24)13-18)23-16(14-26)15-28-22-5-2-17(12-19(22)23)27-6-7-30-8-10-31-11-9-30/h2-5,12-13,15,27H,6-11H2,1H3