4-[(2-chloranyl-4,5-dimethoxy-phenyl)amino]-7-[5-(morpholin-4-ylmethyl)thiophen-3-yl]quinoline-3-carbonitrile

Systemtic Name: 4-[(2-chloranyl-4,5-dimethoxy-phenyl)amino]-7-[5-(morpholin-4-ylmethyl)thiophen-3-yl]quinoline-3-carbonitrile Openeye Name: 4-(2-chloro-4,5-dimethoxy-anilino)-7-[5-(morpholinomethyl)-3-thienyl]quinoline-3-carbonitrile CAS Name: 4-(2-chloro-4,5-dimethoxyanilino)-7-[5-(4-morpholinylmethyl)-3-thiophenyl]-3-quinolinecarbonitrile IUPAC Name: 4-(2-chloro-4,5-dimethoxyanilino)-7-[5-(morpholin-4-ylmethyl)thiophen-3-yl]quinoline-3-carbonitrile Traditional Name: 4-(2-chloro-4,5-dimethoxy-anilino)-7-[5-(morpholinomethyl)-3-thienyl]quinoline-3-carbonitrile Formula: C27H25ClN4O3S MolecularWeight: 521.0304

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)NC2=C3C=CC(=CC3=NC=C2C#N)C4=CSC(=C4)CN5CCOCC5)Cl)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)NC2=C3C=CC(=CC3=NC=C2C#N)C4=CSC(=C4)CN5CCOCC5)Cl)OC

InChI

InChI=1S/C27H25ClN4O3S/c1-33-25-11-22(28)24(12-26(25)34-2)31-27-19(13-29)14-30-23-10-17(3-4-21(23)27)18-9-20(36-16-18)15-32-5-7-35-8-6-32/h3-4,9-12,14,16H,5-8,15H2,1-2H3,(H,30,31)