4-[(4-bromanyl-2-chloranyl-6-methyl-phenyl)amino]-7-[5-(morpholin-4-ylmethyl)thiophen-2-yl]quinoline-3-carbonitrile

Systemtic Name: 4-[(4-bromanyl-2-chloranyl-6-methyl-phenyl)amino]-7-[5-(morpholin-4-ylmethyl)thiophen-2-yl]quinoline-3-carbonitrile Openeye Name: 4-(4-bromo-2-chloro-6-methyl-anilino)-7-[5-(morpholinomethyl)-2-thienyl]quinoline-3-carbonitrile CAS Name: 4-(4-bromo-2-chloro-6-methylanilino)-7-[5-(4-morpholinylmethyl)-2-thiophenyl]-3-quinolinecarbonitrile IUPAC Name: 4-(4-bromo-2-chloro-6-methylanilino)-7-[5-(morpholin-4-ylmethyl)thiophen-2-yl]quinoline-3-carbonitrile Traditional Name: 4-(4-bromo-2-chloro-6-methyl-anilino)-7-[5-(morpholinomethyl)-2-thienyl]quinoline-3-carbonitrile Formula: C26H22BrClN4OS MolecularWeight: 553.90108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NC2=C3C=CC(=CC3=NC=C2C#N)C4=CC=C(S4)CN5CCOCC5)Cl)Br

Isomeric SMILES

CC1=CC(=CC(=C1NC2=C3C=CC(=CC3=NC=C2C#N)C4=CC=C(S4)CN5CCOCC5)Cl)Br

InChI

InChI=1S/C26H22BrClN4OS/c1-16-10-19(27)12-22(28)25(16)31-26-18(13-29)14-30-23-11-17(2-4-21(23)26)24-5-3-20(34-24)15-32-6-8-33-9-7-32/h2-5,10-12,14H,6-9,15H2,1H3,(H,30,31)