8-(azepan-1-ylmethyl)-3-(1,3-benzodioxol-5-yl)-4-methyl-7-oxidanyl-chromen-2-one

Systemtic Name: 8-(azepan-1-ylmethyl)-3-(1,3-benzodioxol-5-yl)-4-methyl-7-oxidanyl-chromen-2-one Openeye Name: 8-(azepan-1-ylmethyl)-3-(1,3-benzodioxol-5-yl)-7-hydroxy-4-methyl-chromen-2-one CAS Name: 8-(1-azepanylmethyl)-3-(1,3-benzodioxol-5-yl)-7-hydroxy-4-methyl-1-benzopyran-2-one IUPAC Name: 8-(azepan-1-ylmethyl)-3-(1,3-benzodioxol-5-yl)-7-hydroxy-4-methylchromen-2-one Traditional Name: 8-(azepan-1-ylmethyl)-3-(1,3-benzodioxol-5-yl)-7-hydroxy-4-methyl-coumarin Formula: C24H25NO5 MolecularWeight: 407.459

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2CN3CCCCCC3)O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2CN3CCCCCC3)O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H25NO5/c1-15-17-7-8-19(26)18(13-25-10-4-2-3-5-11-25)23(17)30-24(27)22(15)16-6-9-20-21(12-16)29-14-28-20/h6-9,12,26H,2-5,10-11,13-14H2,1H3