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

Systemtic Name: 2-[5-(2,6-dimethylpiperazin-1-yl)pentyl]-6-oxidanylidene-1-quinolin-3-yl-cyclohexa-2,4-diene-1-carboximidamide Openeye Name: 2-[5-(2,6-dimethylpiperazin-1-yl)pentyl]-6-oxo-1-(3-quinolyl)cyclohexa-2,4-diene-1-carboxamidine CAS Name: 2-[5-(2,6-dimethyl-1-piperazinyl)pentyl]-6-oxo-1-(3-quinolinyl)-1-cyclohexa-2,4-dienecarboximidamide IUPAC Name: 2-[5-(2,6-dimethylpiperazin-1-yl)pentyl]-6-oxo-1-quinolin-3-ylcyclohexa-2,4-diene-1-carboximidamide Traditional Name: 2-[5-(2,6-dimethylpiperazino)pentyl]-6-keto-1-(3-quinolyl)cyclohexa-2,4-diene-1-carboxamidine Formula: C27H35N5O MolecularWeight: 445.5997

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Descriptors Computed from Structure

Canonical SMILES:

CC1CNCC(N1CCCCCC2=CC=CC(=O)C2(C3=CC4=CC=CC=C4N=C3)C(=N)N)C

Isomeric SMILES

CC1CNCC(N1CCCCCC2=CC=CC(=O)C2(C3=CC4=CC=CC=C4N=C3)C(=N)N)C

InChI

InChI=1S/C27H35N5O/c1-19-16-30-17-20(2)32(19)14-7-3-4-10-22-11-8-13-25(33)27(22,26(28)29)23-15-21-9-5-6-12-24(21)31-18-23/h5-6,8-9,11-13,15,18-20,30H,3-4,7,10,14,16-17H2,1-2H3,(H3,28,29)