5-(butylamino)-3-[1-(2,6-dimethylpiperidin-1-yl)pentyl]-6-oxidanylidene-1-quinolin-3-yl-cyclohexa-2,4-diene-1-carboximidamide

Systemtic Name: 5-(butylamino)-3-[1-(2,6-dimethylpiperidin-1-yl)pentyl]-6-oxidanylidene-1-quinolin-3-yl-cyclohexa-2,4-diene-1-carboximidamide Openeye Name: 5-(butylamino)-3-[1-(2,6-dimethyl-1-piperidyl)pentyl]-6-oxo-1-(3-quinolyl)cyclohexa-2,4-diene-1-carboxamidine CAS Name: 5-(butylamino)-3-[1-(2,6-dimethyl-1-piperidinyl)pentyl]-6-oxo-1-(3-quinolinyl)-1-cyclohexa-2,4-dienecarboximidamide IUPAC Name: 5-(butylamino)-3-[1-(2,6-dimethylpiperidin-1-yl)pentyl]-6-oxo-1-quinolin-3-ylcyclohexa-2,4-diene-1-carboximidamide Traditional Name: 5-(butylamino)-3-[1-(2,6-dimethylpiperidino)pentyl]-6-keto-1-(3-quinolyl)cyclohexa-2,4-diene-1-carboxamidine Formula: C32H45N5O MolecularWeight: 515.7326

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1=CC(C(=O)C(=C1)NCCCC)(C2=CC3=CC=CC=C3N=C2)C(=N)N)N4C(CCCC4C)C

Isomeric SMILES

CCCCC(C1=CC(C(=O)C(=C1)NCCCC)(C2=CC3=CC=CC=C3N=C2)C(=N)N)N4C(CCCC4C)C

InChI

InChI=1S/C32H45N5O/c1-5-7-16-29(37-22(3)12-11-13-23(37)4)25-19-28(35-17-8-6-2)30(38)32(20-25,31(33)34)26-18-24-14-9-10-15-27(24)36-21-26/h9-10,14-15,18-23,29,35H,5-8,11-13,16-17H2,1-4H3,(H3,33,34)