3-[3-(azepan-1-yl)-3-oxidanylidene-propyl]-7-methoxy-4-methyl-chromen-2-one

Systemtic Name: 3-[3-(azepan-1-yl)-3-oxidanylidene-propyl]-7-methoxy-4-methyl-chromen-2-one Openeye Name: 3-[3-(azepan-1-yl)-3-oxo-propyl]-7-methoxy-4-methyl-chromen-2-one CAS Name: 3-[3-(1-azepanyl)-3-oxopropyl]-7-methoxy-4-methyl-1-benzopyran-2-one IUPAC Name: 3-[3-(azepan-1-yl)-3-oxopropyl]-7-methoxy-4-methylchromen-2-one Traditional Name: 3-[3-(azepan-1-yl)-3-keto-propyl]-7-methoxy-4-methyl-coumarin Formula: C20H25NO4 MolecularWeight: 343.4168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)OC)CCC(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)OC)CCC(=O)N3CCCCCC3

InChI

InChI=1S/C20H25NO4/c1-14-16-8-7-15(24-2)13-18(16)25-20(23)17(14)9-10-19(22)21-11-5-3-4-6-12-21/h7-8,13H,3-6,9-12H2,1-2H3