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

Systemtic Name: 4-[(4-bromanyl-2-chloranyl-6-methyl-phenyl)amino]-7-[(3-morpholin-4-ylpropylamino)methyl]-5-thiophen-2-yl-quinoline-3-carbonitrile Openeye Name: 4-(4-bromo-2-chloro-6-methyl-anilino)-7-[(3-morpholinopropylamino)methyl]-5-(2-thienyl)quinoline-3-carbonitrile CAS Name: 4-(4-bromo-2-chloro-6-methylanilino)-7-[[3-(4-morpholinyl)propylamino]methyl]-5-thiophen-2-yl-3-quinolinecarbonitrile IUPAC Name: 4-(4-bromo-2-chloro-6-methylanilino)-7-[(3-morpholin-4-ylpropylamino)methyl]-5-thiophen-2-ylquinoline-3-carbonitrile Traditional Name: 4-(4-bromo-2-chloro-6-methyl-anilino)-7-[(3-morpholinopropylamino)methyl]-5-(2-thienyl)quinoline-3-carbonitrile Formula: C29H29BrClN5OS MolecularWeight: 610.99546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NC2=C3C(=CC(=CC3=NC=C2C#N)CNCCCN4CCOCC4)C5=CC=CS5)Cl)Br

Isomeric SMILES

CC1=CC(=CC(=C1NC2=C3C(=CC(=CC3=NC=C2C#N)CNCCCN4CCOCC4)C5=CC=CS5)Cl)Br

InChI

InChI=1S/C29H29BrClN5OS/c1-19-12-22(30)15-24(31)28(19)35-29-21(16-32)18-34-25-14-20(13-23(27(25)29)26-4-2-11-38-26)17-33-5-3-6-36-7-9-37-10-8-36/h2,4,11-15,18,33H,3,5-10,17H2,1H3,(H,34,35)