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

Systemtic Name: 4-[(4-bromanyl-2-chloranyl-6-methyl-phenyl)amino]-7-[5-(piperidin-1-ylmethyl)furan-2-yl]quinoline-3-carbonitrile Openeye Name: 4-(4-bromo-2-chloro-6-methyl-anilino)-7-[5-(1-piperidylmethyl)-2-furyl]quinoline-3-carbonitrile CAS Name: 4-(4-bromo-2-chloro-6-methylanilino)-7-[5-(1-piperidinylmethyl)-2-furanyl]-3-quinolinecarbonitrile IUPAC Name: 4-(4-bromo-2-chloro-6-methylanilino)-7-[5-(piperidin-1-ylmethyl)furan-2-yl]quinoline-3-carbonitrile Traditional Name: 4-(4-bromo-2-chloro-6-methyl-anilino)-7-[5-(piperidinomethyl)-2-furyl]quinoline-3-carbonitrile Formula: C27H24BrClN4O MolecularWeight: 535.86266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NC2=C3C=CC(=CC3=NC=C2C#N)C4=CC=C(O4)CN5CCCCC5)Cl)Br

Isomeric SMILES

CC1=CC(=CC(=C1NC2=C3C=CC(=CC3=NC=C2C#N)C4=CC=C(O4)CN5CCCCC5)Cl)Br

InChI

InChI=1S/C27H24BrClN4O/c1-17-11-20(28)13-23(29)26(17)32-27-19(14-30)15-31-24-12-18(5-7-22(24)27)25-8-6-21(34-25)16-33-9-3-2-4-10-33/h5-8,11-13,15H,2-4,9-10,16H2,1H3,(H,31,32)