3-[4-[5-(2,5-dimethylimidazol-1-yl)pentyl]-3-oxidanylidene-quinoxalin-2-yl]benzenecarboximidamide

Systemtic Name: 3-[4-[5-(2,5-dimethylimidazol-1-yl)pentyl]-3-oxidanylidene-quinoxalin-2-yl]benzenecarboximidamide Openeye Name: 3-[4-[5-(2,5-dimethylimidazol-1-yl)pentyl]-3-oxo-quinoxalin-2-yl]benzamidine CAS Name: 3-[4-[5-(2,5-dimethyl-1-imidazolyl)pentyl]-3-oxo-2-quinoxalinyl]benzenecarboximidamide IUPAC Name: 3-[4-[5-(2,5-dimethylimidazol-1-yl)pentyl]-3-oxoquinoxalin-2-yl]benzenecarboximidamide Traditional Name: 3-[4-[5-(2,5-dimethylimidazol-1-yl)pentyl]-3-keto-quinoxalin-2-yl]benzamidine Formula: C25H28N6O MolecularWeight: 428.52942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N1CCCCCN2C3=CC=CC=C3N=C(C2=O)C4=CC(=CC=C4)C(=N)N)C

Isomeric SMILES

CC1=CN=C(N1CCCCCN2C3=CC=CC=C3N=C(C2=O)C4=CC(=CC=C4)C(=N)N)C

InChI

InChI=1S/C25H28N6O/c1-17-16-28-18(2)30(17)13-6-3-7-14-31-22-12-5-4-11-21(22)29-23(25(31)32)19-9-8-10-20(15-19)24(26)27/h4-5,8-12,15-16H,3,6-7,13-14H2,1-2H3,(H3,26,27)