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

Systemtic Name: 4-[(4-chloranyl-5-methoxy-2-methyl-phenyl)amino]-7-[5-(morpholin-4-ylmethyl)thiophen-3-yl]quinoline-3-carbonitrile Openeye Name: 4-(4-chloro-5-methoxy-2-methyl-anilino)-7-[5-(morpholinomethyl)-3-thienyl]quinoline-3-carbonitrile CAS Name: 4-(4-chloro-5-methoxy-2-methylanilino)-7-[5-(4-morpholinylmethyl)-3-thiophenyl]-3-quinolinecarbonitrile IUPAC Name: 4-(4-chloro-5-methoxy-2-methylanilino)-7-[5-(morpholin-4-ylmethyl)thiophen-3-yl]quinoline-3-carbonitrile Traditional Name: 4-(4-chloro-5-methoxy-2-methyl-anilino)-7-[5-(morpholinomethyl)-3-thienyl]quinoline-3-carbonitrile Formula: C27H25ClN4O2S MolecularWeight: 505.031

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NC2=C3C=CC(=CC3=NC=C2C#N)C4=CSC(=C4)CN5CCOCC5)OC)Cl

Isomeric SMILES

CC1=CC(=C(C=C1NC2=C3C=CC(=CC3=NC=C2C#N)C4=CSC(=C4)CN5CCOCC5)OC)Cl

InChI

InChI=1S/C27H25ClN4O2S/c1-17-9-23(28)26(33-2)12-24(17)31-27-20(13-29)14-30-25-11-18(3-4-22(25)27)19-10-21(35-16-19)15-32-5-7-34-8-6-32/h3-4,9-12,14,16H,5-8,15H2,1-2H3,(H,30,31)