3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[2-(4-methoxyphenyl)azepan-1-yl]propan-1-one

Systemtic Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[2-(4-methoxyphenyl)azepan-1-yl]propan-1-one Openeye Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[2-(4-methoxyphenyl)azepan-1-yl]propan-1-one CAS Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[2-(4-methoxyphenyl)-1-azepanyl]-1-propanone IUPAC Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[2-(4-methoxyphenyl)azepan-1-yl]propan-1-one Traditional Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[2-(4-methoxyphenyl)azepan-1-yl]propan-1-one Formula: C24H29NO4 MolecularWeight: 395.49136

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCCCCN2C(=O)CCC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

COC1=CC=C(C=C1)C2CCCCCN2C(=O)CCC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C24H29NO4/c1-27-20-10-8-19(9-11-20)21-5-3-2-4-14-25(21)24(26)13-7-18-6-12-22-23(17-18)29-16-15-28-22/h6,8-12,17,21H,2-5,7,13-16H2,1H3