7-[3,4-bis(morpholin-4-ylmethyl)phenyl]-4-[[3-chloranyl-4-(1-methylimidazol-2-yl)sulfanyl-phenyl]amino]-6-methoxy-quinoline-3-carbonitrile

Systemtic Name: 7-[3,4-bis(morpholin-4-ylmethyl)phenyl]-4-[[3-chloranyl-4-(1-methylimidazol-2-yl)sulfanyl-phenyl]amino]-6-methoxy-quinoline-3-carbonitrile Openeye Name: 7-[3,4-bis(morpholinomethyl)phenyl]-4-[3-chloro-4-(1-methylimidazol-2-yl)sulfanyl-anilino]-6-methoxy-quinoline-3-carbonitrile CAS Name: 7-[3,4-bis(4-morpholinylmethyl)phenyl]-4-[3-chloro-4-[(1-methyl-2-imidazolyl)thio]anilino]-6-methoxy-3-quinolinecarbonitrile IUPAC Name: 7-[3,4-bis(morpholin-4-ylmethyl)phenyl]-4-[3-chloro-4-(1-methylimidazol-2-yl)sulfanylanilino]-6-methoxyquinoline-3-carbonitrile Traditional Name: 7-[3,4-bis(morpholinomethyl)phenyl]-4-[3-chloro-4-[(1-methylimidazol-2-yl)thio]anilino]-6-methoxy-quinoline-3-carbonitrile Formula: C37H38ClN7O3S MolecularWeight: 696.26072

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SC2=C(C=C(C=C2)NC3=C(C=NC4=CC(=C(C=C43)OC)C5=CC(=C(C=C5)CN6CCOCC6)CN7CCOCC7)C#N)Cl

Isomeric SMILES

CN1C=CN=C1SC2=C(C=C(C=C2)NC3=C(C=NC4=CC(=C(C=C43)OC)C5=CC(=C(C=C5)CN6CCOCC6)CN7CCOCC7)C#N)Cl

InChI

InChI=1S/C37H38ClN7O3S/c1-43-8-7-40-37(43)49-35-6-5-29(18-32(35)38)42-36-28(21-39)22-41-33-19-30(34(46-2)20-31(33)36)25-3-4-26(23-44-9-13-47-14-10-44)27(17-25)24-45-11-15-48-16-12-45/h3-8,17-20,22H,9-16,23-24H2,1-2H3,(H,41,42)