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

Systemtic Name: 4-[(2,4-dimethylphenyl)amino]-7-[5-(morpholin-4-ylmethyl)thiophen-2-yl]quinoline-3-carbonitrile Openeye Name: 4-(2,4-dimethylanilino)-7-[5-(morpholinomethyl)-2-thienyl]quinoline-3-carbonitrile CAS Name: 4-(2,4-dimethylanilino)-7-[5-(4-morpholinylmethyl)-2-thiophenyl]-3-quinolinecarbonitrile IUPAC Name: 4-(2,4-dimethylanilino)-7-[5-(morpholin-4-ylmethyl)thiophen-2-yl]quinoline-3-carbonitrile Traditional Name: 4-(2,4-dimethylanilino)-7-[5-(morpholinomethyl)-2-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=CC=C(S4)CN5CCOCC5)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC2=C3C=CC(=CC3=NC=C2C#N)C4=CC=C(S4)CN5CCOCC5)C

InChI

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