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

Systemtic Name: 3-[3-(azepan-1-yl)-3-oxidanylidene-propyl]-4,7-dimethyl-chromen-2-one Openeye Name: 3-[3-(azepan-1-yl)-3-oxo-propyl]-4,7-dimethyl-chromen-2-one CAS Name: 3-[3-(1-azepanyl)-3-oxopropyl]-4,7-dimethyl-1-benzopyran-2-one IUPAC Name: 3-[3-(azepan-1-yl)-3-oxopropyl]-4,7-dimethylchromen-2-one Traditional Name: 3-[3-(azepan-1-yl)-3-keto-propyl]-4,7-dimethyl-coumarin Formula: C20H25NO3 MolecularWeight: 327.4174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=C(C(=O)O2)CCC(=O)N3CCCCCC3)C

Isomeric SMILES

CC1=CC2=C(C=C1)C(=C(C(=O)O2)CCC(=O)N3CCCCCC3)C

InChI

InChI=1S/C20H25NO3/c1-14-7-8-16-15(2)17(20(23)24-18(16)13-14)9-10-19(22)21-11-5-3-4-6-12-21/h7-8,13H,3-6,9-12H2,1-2H3