N-[3-(1H-benzimidazol-2-yl)-1-(octan-3-ylamino)-2-oxidanylidene-quinolin-7-yl]benzamide

Systemtic Name: N-[3-(1H-benzimidazol-2-yl)-1-(octan-3-ylamino)-2-oxidanylidene-quinolin-7-yl]benzamide Openeye Name: N-[3-(1H-benzimidazol-2-yl)-1-(1-ethylhexylamino)-2-oxo-7-quinolyl]benzamide CAS Name: N-[3-(1H-benzimidazol-2-yl)-1-(octan-3-ylamino)-2-oxo-7-quinolinyl]benzamide IUPAC Name: N-[3-(1H-benzimidazol-2-yl)-1-(octan-3-ylamino)-2-oxoquinolin-7-yl]benzamide Traditional Name: N-[3-(1H-benzimidazol-2-yl)-1-(1-ethylhexylamino)-2-keto-7-quinolyl]benzamide Formula: C31H33N5O2 MolecularWeight: 507.62602

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC)NN1C2=C(C=CC(=C2)NC(=O)C3=CC=CC=C3)C=C(C1=O)C4=NC5=CC=CC=C5N4

Isomeric SMILES

CCCCCC(CC)NN1C2=C(C=CC(=C2)NC(=O)C3=CC=CC=C3)C=C(C1=O)C4=NC5=CC=CC=C5N4

InChI

InChI=1S/C31H33N5O2/c1-3-5-7-14-23(4-2)35-36-28-20-24(32-30(37)21-12-8-6-9-13-21)18-17-22(28)19-25(31(36)38)29-33-26-15-10-11-16-27(26)34-29/h6,8-13,15-20,23,35H,3-5,7,14H2,1-2H3,(H,32,37)(H,33,34)