5-(2-oxidanylidene-1-piperazin-1-yl-pentyl)-1-quinolin-3-yl-cyclohex-2-ene-1-carboximidamide

Systemtic Name: 5-(2-oxidanylidene-1-piperazin-1-yl-pentyl)-1-quinolin-3-yl-cyclohex-2-ene-1-carboximidamide Openeye Name: 5-(2-oxo-1-piperazin-1-yl-pentyl)-1-(3-quinolyl)cyclohex-2-ene-1-carboxamidine CAS Name: 5-[2-oxo-1-(1-piperazinyl)pentyl]-1-(3-quinolinyl)-1-cyclohex-2-enecarboximidamide IUPAC Name: 5-(2-oxo-1-piperazin-1-ylpentyl)-1-quinolin-3-ylcyclohex-2-ene-1-carboximidamide Traditional Name: 5-(2-keto-1-piperazino-pentyl)-1-(3-quinolyl)cyclohex-2-ene-1-carboxamidine Formula: C25H33N5O MolecularWeight: 419.56242

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C(C1CC=CC(C1)(C2=CC3=CC=CC=C3N=C2)C(=N)N)N4CCNCC4

Isomeric SMILES

CCCC(=O)C(C1CC=CC(C1)(C2=CC3=CC=CC=C3N=C2)C(=N)N)N4CCNCC4

InChI

InChI=1S/C25H33N5O/c1-2-6-22(31)23(30-13-11-28-12-14-30)19-8-5-10-25(16-19,24(26)27)20-15-18-7-3-4-9-21(18)29-17-20/h3-5,7,9-10,15,17,19,23,28H,2,6,8,11-14,16H2,1H3,(H3,26,27)