4-[(2,4-dichlorophenyl)amino]-7-(5-morpholin-4-ylpent-1-ynyl)quinoline-3-carbonitrile

Systemtic Name: 4-[(2,4-dichlorophenyl)amino]-7-(5-morpholin-4-ylpent-1-ynyl)quinoline-3-carbonitrile Openeye Name: 4-(2,4-dichloroanilino)-7-(5-morpholinopent-1-ynyl)quinoline-3-carbonitrile CAS Name: 4-(2,4-dichloroanilino)-7-[5-(4-morpholinyl)pent-1-ynyl]-3-quinolinecarbonitrile IUPAC Name: 4-(2,4-dichloroanilino)-7-(5-morpholin-4-ylpent-1-ynyl)quinoline-3-carbonitrile Traditional Name: 4-(2,4-dichloroanilino)-7-(5-morpholinopent-1-ynyl)quinoline-3-carbonitrile Formula: C25H22Cl2N4O MolecularWeight: 465.37438

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCC#CC2=CC3=NC=C(C(=C3C=C2)NC4=C(C=C(C=C4)Cl)Cl)C#N

Isomeric SMILES

C1COCCN1CCCC#CC2=CC3=NC=C(C(=C3C=C2)NC4=C(C=C(C=C4)Cl)Cl)C#N

InChI

InChI=1S/C25H22Cl2N4O/c26-20-6-8-23(22(27)15-20)30-25-19(16-28)17-29-24-14-18(5-7-21(24)25)4-2-1-3-9-31-10-12-32-13-11-31/h5-8,14-15,17H,1,3,9-13H2,(H,29,30)