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

Systemtic Name: 4-[(2,4-dimethylphenyl)amino]-7-[5-(morpholin-4-ylmethyl)thiophen-3-yl]quinoline-3-carbonitrile Openeye Name: 4-(2,4-dimethylanilino)-7-[5-(morpholinomethyl)-3-thienyl]quinoline-3-carbonitrile CAS Name: 4-(2,4-dimethylanilino)-7-[5-(4-morpholinylmethyl)-3-thiophenyl]-3-quinolinecarbonitrile IUPAC Name: 4-(2,4-dimethylanilino)-7-[5-(morpholin-4-ylmethyl)thiophen-3-yl]quinoline-3-carbonitrile Traditional Name: 4-(2,4-dimethylanilino)-7-[5-(morpholinomethyl)-3-thienyl]quinoline-3-carbonitrile Formula: C27H26N4OS MolecularWeight: 454.58654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC2=C3C=CC(=CC3=NC=C2C#N)C4=CSC(=C4)CN5CCOCC5)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC2=C3C=CC(=CC3=NC=C2C#N)C4=CSC(=C4)CN5CCOCC5)C

InChI

InChI=1S/C27H26N4OS/c1-18-3-6-25(19(2)11-18)30-27-22(14-28)15-29-26-13-20(4-5-24(26)27)21-12-23(33-17-21)16-31-7-9-32-10-8-31/h3-6,11-13,15,17H,7-10,16H2,1-2H3,(H,29,30)