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

Systemtic Name: 3-(1H-benzimidazol-2-yl)-6-(3-nitrophenyl)-1-(octan-3-ylamino)quinolin-2-one Openeye Name: 3-(1H-benzimidazol-2-yl)-1-(1-ethylhexylamino)-6-(3-nitrophenyl)quinolin-2-one CAS Name: 3-(1H-benzimidazol-2-yl)-6-(3-nitrophenyl)-1-(octan-3-ylamino)-2-quinolinone IUPAC Name: 3-(1H-benzimidazol-2-yl)-6-(3-nitrophenyl)-1-(octan-3-ylamino)quinolin-2-one Traditional Name: 3-(1H-benzimidazol-2-yl)-1-(1-ethylhexylamino)-6-(3-nitrophenyl)carbostyril Formula: C30H31N5O3 MolecularWeight: 509.59884

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC)NN1C2=C(C=C(C=C2)C3=CC(=CC=C3)[N+](=O)[O-])C=C(C1=O)C4=NC5=CC=CC=C5N4

Isomeric SMILES

CCCCCC(CC)NN1C2=C(C=C(C=C2)C3=CC(=CC=C3)[N+](=O)[O-])C=C(C1=O)C4=NC5=CC=CC=C5N4

InChI

InChI=1S/C30H31N5O3/c1-3-5-6-11-23(4-2)33-34-28-16-15-21(20-10-9-12-24(18-20)35(37)38)17-22(28)19-25(30(34)36)29-31-26-13-7-8-14-27(26)32-29/h7-10,12-19,23,33H,3-6,11H2,1-2H3,(H,31,32)