N-[1-azanyl-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]-2-(5-bromanyl-1H-indol-3-yl)quinoline-4-carboxamide

Systemtic Name: N-[1-azanyl-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]-2-(5-bromanyl-1H-indol-3-yl)quinoline-4-carboxamide Openeye Name: 2-(5-bromo-1H-indol-3-yl)-N-(1-carbamoyl-4-guanidino-butyl)quinoline-4-carboxamide CAS Name: N-[1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-(5-bromo-1H-indol-3-yl)-4-quinolinecarboxamide IUPAC Name: N-[1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-(5-bromo-1H-indol-3-yl)quinoline-4-carboxamide Traditional Name: 2-(5-bromo-1H-indol-3-yl)-N-(1-carbamoyl-4-guanidino-butyl)cinchoninamide Formula: C24H24BrN7O2 MolecularWeight: 522.39706

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3=CNC4=C3C=C(C=C4)Br)C(=O)NC(CCCN=C(N)N)C(=O)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CNC4=C3C=C(C=C4)Br)C(=O)NC(CCCN=C(N)N)C(=O)N

InChI

InChI=1S/C24H24BrN7O2/c25-13-7-8-18-15(10-13)17(12-30-18)21-11-16(14-4-1-2-5-19(14)31-21)23(34)32-20(22(26)33)6-3-9-29-24(27)28/h1-2,4-5,7-8,10-12,20,30H,3,6,9H2,(H2,26,33)(H,32,34)(H4,27,28,29)