2-[5-chloranyl-3-(4-methylphenyl)-2-oxidanylidene-1-benzofuran-3-yl]-N-methyl-butanamide; N-propan-2-ylpropan-2-amine; hydrochloride

Systemtic Name: 2-[5-chloranyl-3-(4-methylphenyl)-2-oxidanylidene-1-benzofuran-3-yl]-N-methyl-butanamide; N-propan-2-ylpropan-2-amine; hydrochloride Openeye Name: 2-[5-chloro-2-oxo-3-(p-tolyl)benzofuran-3-yl]-N-methyl-butanamide; N-isopropylpropan-2-amine; hydrochloride CAS Name: 2-[5-chloro-3-(4-methylphenyl)-2-oxo-3-benzofuranyl]-N-methylbutanamide; N-propan-2-yl-2-propanamine; hydrochloride IUPAC Name: 2-[5-chloro-3-(4-methylphenyl)-2-oxo-1-benzofuran-3-yl]-N-methylbutanamide; N-propan-2-ylpropan-2-amine; hydrochloride Traditional Name: 2-[5-chloro-2-keto-3-(p-tolyl)coumaran-3-yl]-N-methyl-butyramide; diisopropylamine; hydrochloride Formula: C26H36Cl2N2O3 MolecularWeight: 495.48164

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC)C1(C2=C(C=CC(=C2)Cl)OC1=O)C3=CC=C(C=C3)C.CC(C)NC(C)C.Cl

Isomeric SMILES

CCC(C(=O)NC)C1(C2=C(C=CC(=C2)Cl)OC1=O)C3=CC=C(C=C3)C.CC(C)NC(C)C.Cl

InChI

InChI=1S/C20H20ClNO3.C6H15N.ClH/c1-4-15(18(23)22-3)20(13-7-5-12(2)6-8-13)16-11-14(21)9-10-17(16)25-19(20)24;1-5(2)7-6(3)4;/h5-11,15H,4H2,1-3H3,(H,22,23);5-7H,1-4H3;1H