3-[3-oxidanylidene-4-(5-pyrazol-1-ylpentyl)quinoxalin-2-yl]benzenecarboximidamide

Systemtic Name: 3-[3-oxidanylidene-4-(5-pyrazol-1-ylpentyl)quinoxalin-2-yl]benzenecarboximidamide Openeye Name: 3-[3-oxo-4-(5-pyrazol-1-ylpentyl)quinoxalin-2-yl]benzamidine CAS Name: 3-[3-oxo-4-[5-(1-pyrazolyl)pentyl]-2-quinoxalinyl]benzenecarboximidamide IUPAC Name: 3-[3-oxo-4-(5-pyrazol-1-ylpentyl)quinoxalin-2-yl]benzenecarboximidamide Traditional Name: 3-[3-keto-4-(5-pyrazol-1-ylpentyl)quinoxalin-2-yl]benzamidine Formula: C23H24N6O MolecularWeight: 400.47626

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(C(=O)N2CCCCCN3C=CC=N3)C4=CC(=CC=C4)C(=N)N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(C(=O)N2CCCCCN3C=CC=N3)C4=CC(=CC=C4)C(=N)N

InChI

InChI=1S/C23H24N6O/c24-22(25)18-9-6-8-17(16-18)21-23(30)29(20-11-3-2-10-19(20)27-21)15-5-1-4-13-28-14-7-12-26-28/h2-3,6-12,14,16H,1,4-5,13,15H2,(H3,24,25)