3-(1H-benzimidazol-2-yl)-6-nitro-1-(octan-3-ylamino)quinolin-2-one

Systemtic Name: 3-(1H-benzimidazol-2-yl)-6-nitro-1-(octan-3-ylamino)quinolin-2-one Openeye Name: 3-(1H-benzimidazol-2-yl)-1-(1-ethylhexylamino)-6-nitro-quinolin-2-one CAS Name: 3-(1H-benzimidazol-2-yl)-6-nitro-1-(octan-3-ylamino)-2-quinolinone IUPAC Name: 3-(1H-benzimidazol-2-yl)-6-nitro-1-(octan-3-ylamino)quinolin-2-one Traditional Name: 3-(1H-benzimidazol-2-yl)-1-(1-ethylhexylamino)-6-nitro-carbostyril Formula: C24H27N5O3 MolecularWeight: 433.50288

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC)NN1C2=C(C=C(C=C2)[N+](=O)[O-])C=C(C1=O)C3=NC4=CC=CC=C4N3

Isomeric SMILES

CCCCCC(CC)NN1C2=C(C=C(C=C2)[N+](=O)[O-])C=C(C1=O)C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C24H27N5O3/c1-3-5-6-9-17(4-2)27-28-22-13-12-18(29(31)32)14-16(22)15-19(24(28)30)23-25-20-10-7-8-11-21(20)26-23/h7-8,10-15,17,27H,3-6,9H2,1-2H3,(H,25,26)