3-[2-(azepan-1-yl)-2-oxidanylidene-ethoxy]-6-chloranyl-7-methyl-2-(4-methylphenyl)chromen-4-one

Systemtic Name: 3-[2-(azepan-1-yl)-2-oxidanylidene-ethoxy]-6-chloranyl-7-methyl-2-(4-methylphenyl)chromen-4-one Openeye Name: 3-[2-(azepan-1-yl)-2-oxo-ethoxy]-6-chloro-7-methyl-2-(p-tolyl)chromen-4-one CAS Name: 3-[2-(1-azepanyl)-2-oxoethoxy]-6-chloro-7-methyl-2-(4-methylphenyl)-1-benzopyran-4-one IUPAC Name: 3-[2-(azepan-1-yl)-2-oxoethoxy]-6-chloro-7-methyl-2-(4-methylphenyl)chromen-4-one Traditional Name: 3-[2-(azepan-1-yl)-2-keto-ethoxy]-6-chloro-7-methyl-2-(p-tolyl)chromone Formula: C25H26ClNO4 MolecularWeight: 439.93124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=O)C3=CC(=C(C=C3O2)C)Cl)OCC(=O)N4CCCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=O)C3=CC(=C(C=C3O2)C)Cl)OCC(=O)N4CCCCCC4

InChI

InChI=1S/C25H26ClNO4/c1-16-7-9-18(10-8-16)24-25(30-15-22(28)27-11-5-3-4-6-12-27)23(29)19-14-20(26)17(2)13-21(19)31-24/h7-10,13-14H,3-6,11-12,15H2,1-2H3