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

Systemtic Name: 4-[(4-bromanyl-2-chloranyl-6-methyl-phenyl)amino]-7-[5-[(pyridin-4-ylmethylamino)methyl]thiophen-2-yl]quinoline-3-carbonitrile Openeye Name: 4-(4-bromo-2-chloro-6-methyl-anilino)-7-[5-[(4-pyridylmethylamino)methyl]-2-thienyl]quinoline-3-carbonitrile CAS Name: 4-(4-bromo-2-chloro-6-methylanilino)-7-[5-[(pyridin-4-ylmethylamino)methyl]-2-thiophenyl]-3-quinolinecarbonitrile IUPAC Name: 4-(4-bromo-2-chloro-6-methylanilino)-7-[5-[(pyridin-4-ylmethylamino)methyl]thiophen-2-yl]quinoline-3-carbonitrile Traditional Name: 4-(4-bromo-2-chloro-6-methyl-anilino)-7-[5-[(4-pyridylmethylamino)methyl]-2-thienyl]quinoline-3-carbonitrile Formula: C28H21BrClN5S MolecularWeight: 574.92184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NC2=C3C=CC(=CC3=NC=C2C#N)C4=CC=C(S4)CNCC5=CC=NC=C5)Cl)Br

Isomeric SMILES

CC1=CC(=CC(=C1NC2=C3C=CC(=CC3=NC=C2C#N)C4=CC=C(S4)CNCC5=CC=NC=C5)Cl)Br

InChI

InChI=1S/C28H21BrClN5S/c1-17-10-21(29)12-24(30)27(17)35-28-20(13-31)15-34-25-11-19(2-4-23(25)28)26-5-3-22(36-26)16-33-14-18-6-8-32-9-7-18/h2-12,15,33H,14,16H2,1H3,(H,34,35)