4-octan-3-yl-2-oxidanylidene-1-propan-2-yl-quinoline-3-carboxamide hydrochloride

Systemtic Name: 4-octan-3-yl-2-oxidanylidene-1-propan-2-yl-quinoline-3-carboxamide hydrochloride Openeye Name: 4-(1-ethylhexyl)-1-isopropyl-2-oxo-quinoline-3-carboxamide hydrochloride CAS Name: 4-octan-3-yl-2-oxo-1-propan-2-yl-3-quinolinecarboxamide hydrochloride IUPAC Name: 4-octan-3-yl-2-oxo-1-propan-2-ylquinoline-3-carboxamide hydrochloride Traditional Name: 4-(1-ethylhexyl)-1-isopropyl-2-keto-quinoline-3-carboxamide hydrochloride Formula: C21H31ClN2O2 MolecularWeight: 378.93604

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC)C1=C(C(=O)N(C2=CC=CC=C21)C(C)C)C(=O)N.Cl

Isomeric SMILES

CCCCCC(CC)C1=C(C(=O)N(C2=CC=CC=C21)C(C)C)C(=O)N.Cl

InChI

InChI=1S/C21H30N2O2.ClH/c1-5-7-8-11-15(6-2)18-16-12-9-10-13-17(16)23(14(3)4)21(25)19(18)20(22)24;/h9-10,12-15H,5-8,11H2,1-4H3,(H2,22,24);1H