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

Systemtic Name: N-[[4-(aminomethyl)phenyl]methyl]-2-(5-methyl-1H-indol-3-yl)quinoline-4-carboxamide Openeye Name: N-[[4-(aminomethyl)phenyl]methyl]-2-(5-methyl-1H-indol-3-yl)quinoline-4-carboxamide CAS Name: N-[[4-(aminomethyl)phenyl]methyl]-2-(5-methyl-1H-indol-3-yl)-4-quinolinecarboxamide IUPAC Name: N-[[4-(aminomethyl)phenyl]methyl]-2-(5-methyl-1H-indol-3-yl)quinoline-4-carboxamide Traditional Name: N-[4-(aminomethyl)benzyl]-2-(5-methyl-1H-indol-3-yl)cinchoninamide Formula: C27H24N4O MolecularWeight: 420.50566

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC=C2C3=NC4=CC=CC=C4C(=C3)C(=O)NCC5=CC=C(C=C5)CN

Isomeric SMILES

CC1=CC2=C(C=C1)NC=C2C3=NC4=CC=CC=C4C(=C3)C(=O)NCC5=CC=C(C=C5)CN

InChI

InChI=1S/C27H24N4O/c1-17-6-11-24-21(12-17)23(16-29-24)26-13-22(20-4-2-3-5-25(20)31-26)27(32)30-15-19-9-7-18(14-28)8-10-19/h2-13,16,29H,14-15,28H2,1H3,(H,30,32)