3-(1H-benzimidazol-2-yl)-1-(octan-3-ylamino)-2-oxidanylidene-quinoline-6-carbonitrile

Systemtic Name: 3-(1H-benzimidazol-2-yl)-1-(octan-3-ylamino)-2-oxidanylidene-quinoline-6-carbonitrile Openeye Name: 3-(1H-benzimidazol-2-yl)-1-(1-ethylhexylamino)-2-oxo-quinoline-6-carbonitrile CAS Name: 3-(1H-benzimidazol-2-yl)-1-(octan-3-ylamino)-2-oxo-6-quinolinecarbonitrile IUPAC Name: 3-(1H-benzimidazol-2-yl)-1-(octan-3-ylamino)-2-oxoquinoline-6-carbonitrile Traditional Name: 3-(1H-benzimidazol-2-yl)-1-(1-ethylhexylamino)-2-keto-quinoline-6-carbonitrile Formula: C25H27N5O MolecularWeight: 413.51478

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC)NN1C2=C(C=C(C=C2)C#N)C=C(C1=O)C3=NC4=CC=CC=C4N3

Isomeric SMILES

CCCCCC(CC)NN1C2=C(C=C(C=C2)C#N)C=C(C1=O)C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C25H27N5O/c1-3-5-6-9-19(4-2)29-30-23-13-12-17(16-26)14-18(23)15-20(25(30)31)24-27-21-10-7-8-11-22(21)28-24/h7-8,10-15,19,29H,3-6,9H2,1-2H3,(H,27,28)