3-oxidanylidene-1-(2-pyrazol-1-ylpentyl)-2-quinolin-3-yl-cyclohexane-1-carboximidamide

Systemtic Name: 3-oxidanylidene-1-(2-pyrazol-1-ylpentyl)-2-quinolin-3-yl-cyclohexane-1-carboximidamide Openeye Name: 3-oxo-1-(2-pyrazol-1-ylpentyl)-2-(3-quinolyl)cyclohexanecarboxamidine CAS Name: 3-oxo-1-[2-(1-pyrazolyl)pentyl]-2-(3-quinolinyl)-1-cyclohexanecarboximidamide IUPAC Name: 3-oxo-1-(2-pyrazol-1-ylpentyl)-2-quinolin-3-ylcyclohexane-1-carboximidamide Traditional Name: 3-keto-1-(2-pyrazol-1-ylpentyl)-2-(3-quinolyl)cyclohexanecarboxamidine Formula: C24H29N5O MolecularWeight: 403.51996

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC1(CCCC(=O)C1C2=CC3=CC=CC=C3N=C2)C(=N)N)N4C=CC=N4

Isomeric SMILES

CCCC(CC1(CCCC(=O)C1C2=CC3=CC=CC=C3N=C2)C(=N)N)N4C=CC=N4

InChI

InChI=1S/C24H29N5O/c1-2-7-19(29-13-6-12-28-29)15-24(23(25)26)11-5-10-21(30)22(24)18-14-17-8-3-4-9-20(17)27-16-18/h3-4,6,8-9,12-14,16,19,22H,2,5,7,10-11,15H2,1H3,(H3,25,26)