4-[(4-bromanyl-2-chloranyl-6-methyl-phenyl)amino]-7-[5-[(4-methylpiperazin-1-yl)methyl]thiophen-2-yl]quinoline-3-carbonitrile

Systemtic Name: 4-[(4-bromanyl-2-chloranyl-6-methyl-phenyl)amino]-7-[5-[(4-methylpiperazin-1-yl)methyl]thiophen-2-yl]quinoline-3-carbonitrile Openeye Name: 4-(4-bromo-2-chloro-6-methyl-anilino)-7-[5-[(4-methylpiperazin-1-yl)methyl]-2-thienyl]quinoline-3-carbonitrile CAS Name: 4-(4-bromo-2-chloro-6-methylanilino)-7-[5-[(4-methyl-1-piperazinyl)methyl]-2-thiophenyl]-3-quinolinecarbonitrile IUPAC Name: 4-(4-bromo-2-chloro-6-methylanilino)-7-[5-[(4-methylpiperazin-1-yl)methyl]thiophen-2-yl]quinoline-3-carbonitrile Traditional Name: 4-(4-bromo-2-chloro-6-methyl-anilino)-7-[5-[(4-methylpiperazino)methyl]-2-thienyl]quinoline-3-carbonitrile Formula: C27H25BrClN5S MolecularWeight: 566.9429

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NC2=C3C=CC(=CC3=NC=C2C#N)C4=CC=C(S4)CN5CCN(CC5)C)Cl)Br

Isomeric SMILES

CC1=CC(=CC(=C1NC2=C3C=CC(=CC3=NC=C2C#N)C4=CC=C(S4)CN5CCN(CC5)C)Cl)Br

InChI

InChI=1S/C27H25BrClN5S/c1-17-11-20(28)13-23(29)26(17)32-27-19(14-30)15-31-24-12-18(3-5-22(24)27)25-6-4-21(35-25)16-34-9-7-33(2)8-10-34/h3-6,11-13,15H,7-10,16H2,1-2H3,(H,31,32)