4-[(4-methyl-3-oxidanylidene-7-propanoyl-quinoxalin-2-yl)methyl]benzenecarboximidamide hydrochloride

Systemtic Name: 4-[(4-methyl-3-oxidanylidene-7-propanoyl-quinoxalin-2-yl)methyl]benzenecarboximidamide hydrochloride Openeye Name: 4-[(4-methyl-3-oxo-7-propanoyl-quinoxalin-2-yl)methyl]benzamidine hydrochloride CAS Name: 4-[[4-methyl-3-oxo-7-(1-oxopropyl)-2-quinoxalinyl]methyl]benzenecarboximidamide hydrochloride IUPAC Name: 4-[(4-methyl-3-oxo-7-propanoylquinoxalin-2-yl)methyl]benzenecarboximidamide hydrochloride Traditional Name: 4-[(3-keto-4-methyl-7-propionyl-quinoxalin-2-yl)methyl]benzamidine hydrochloride Formula: C20H21ClN4O2 MolecularWeight: 384.85934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC2=C(C=C1)N(C(=O)C(=N2)CC3=CC=C(C=C3)C(=N)N)C.Cl

Isomeric SMILES

CCC(=O)C1=CC2=C(C=C1)N(C(=O)C(=N2)CC3=CC=C(C=C3)C(=N)N)C.Cl

InChI

InChI=1S/C20H20N4O2.ClH/c1-3-18(25)14-8-9-17-15(11-14)23-16(20(26)24(17)2)10-12-4-6-13(7-5-12)19(21)22;/h4-9,11H,3,10H2,1-2H3,(H3,21,22);1H