N-[[4-(aminomethyl)phenyl]methyl]-2-(5-bromanyl-1H-indol-3-yl)-6-chloranyl-8-methyl-quinoline-4-carboxamide

Systemtic Name: N-[[4-(aminomethyl)phenyl]methyl]-2-(5-bromanyl-1H-indol-3-yl)-6-chloranyl-8-methyl-quinoline-4-carboxamide Openeye Name: N-[[4-(aminomethyl)phenyl]methyl]-2-(5-bromo-1H-indol-3-yl)-6-chloro-8-methyl-quinoline-4-carboxamide CAS Name: N-[[4-(aminomethyl)phenyl]methyl]-2-(5-bromo-1H-indol-3-yl)-6-chloro-8-methyl-4-quinolinecarboxamide IUPAC Name: N-[[4-(aminomethyl)phenyl]methyl]-2-(5-bromo-1H-indol-3-yl)-6-chloro-8-methylquinoline-4-carboxamide Traditional Name: N-[4-(aminomethyl)benzyl]-2-(5-bromo-1H-indol-3-yl)-6-chloro-8-methyl-cinchoninamide Formula: C27H22BrClN4O MolecularWeight: 533.84678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1)Cl)C(=CC(=N2)C3=CNC4=C3C=C(C=C4)Br)C(=O)NCC5=CC=C(C=C5)CN

Isomeric SMILES

CC1=C2C(=CC(=C1)Cl)C(=CC(=N2)C3=CNC4=C3C=C(C=C4)Br)C(=O)NCC5=CC=C(C=C5)CN

InChI

InChI=1S/C27H22BrClN4O/c1-15-8-19(29)10-21-22(27(34)32-13-17-4-2-16(12-30)3-5-17)11-25(33-26(15)21)23-14-31-24-7-6-18(28)9-20(23)24/h2-11,14,31H,12-13,30H2,1H3,(H,32,34)