2-[(3-chloranyl-4-imidazol-1-yl-phenyl)amino]-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinoline-3-carbonitrile

Systemtic Name: 2-[(3-chloranyl-4-imidazol-1-yl-phenyl)amino]-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinoline-3-carbonitrile Openeye Name: 2-(3-chloro-4-imidazol-1-yl-anilino)-6-methoxy-7-(3-morpholinopropoxy)quinoline-3-carbonitrile CAS Name: 2-[3-chloro-4-(1-imidazolyl)anilino]-6-methoxy-7-[3-(4-morpholinyl)propoxy]-3-quinolinecarbonitrile IUPAC Name: 2-(3-chloro-4-imidazol-1-ylanilino)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinoline-3-carbonitrile Traditional Name: 2-(3-chloro-4-imidazol-1-yl-anilino)-6-methoxy-7-(3-morpholinopropoxy)quinoline-3-carbonitrile Formula: C27H27ClN6O3 MolecularWeight: 518.99468

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C=C(C(=N2)NC3=CC(=C(C=C3)N4C=CN=C4)Cl)C#N)OCCCN5CCOCC5

Isomeric SMILES

COC1=C(C=C2C(=C1)C=C(C(=N2)NC3=CC(=C(C=C3)N4C=CN=C4)Cl)C#N)OCCCN5CCOCC5

InChI

InChI=1S/C27H27ClN6O3/c1-35-25-14-19-13-20(17-29)27(31-21-3-4-24(22(28)15-21)34-7-5-30-18-34)32-23(19)16-26(25)37-10-2-6-33-8-11-36-12-9-33/h3-5,7,13-16,18H,2,6,8-12H2,1H3,(H,31,32)