methyl 4-[[4-(aminomethyl)phenyl]methylcarbamoyl]-2-(5-bromanyl-1H-indol-3-yl)quinoline-6-carboxylate

Systemtic Name: methyl 4-[[4-(aminomethyl)phenyl]methylcarbamoyl]-2-(5-bromanyl-1H-indol-3-yl)quinoline-6-carboxylate Openeye Name: methyl 4-[[4-(aminomethyl)phenyl]methylcarbamoyl]-2-(5-bromo-1H-indol-3-yl)quinoline-6-carboxylate CAS Name: 4-[[[4-(aminomethyl)phenyl]methylamino]-oxomethyl]-2-(5-bromo-1H-indol-3-yl)-6-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 4-[[4-(aminomethyl)phenyl]methylcarbamoyl]-2-(5-bromo-1H-indol-3-yl)quinoline-6-carboxylate Traditional Name: 4-[[4-(aminomethyl)benzyl]carbamoyl]-2-(5-bromo-1H-indol-3-yl)quinoline-6-carboxylic acid methyl ester Formula: C28H23BrN4O3 MolecularWeight: 543.41122

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)N=C(C=C2C(=O)NCC3=CC=C(C=C3)CN)C4=CNC5=C4C=C(C=C5)Br

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N=C(C=C2C(=O)NCC3=CC=C(C=C3)CN)C4=CNC5=C4C=C(C=C5)Br

InChI

InChI=1S/C28H23BrN4O3/c1-36-28(35)18-6-8-25-20(10-18)22(27(34)32-14-17-4-2-16(13-30)3-5-17)12-26(33-25)23-15-31-24-9-7-19(29)11-21(23)24/h2-12,15,31H,13-14,30H2,1H3,(H,32,34)