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

Systemtic Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[2-(4-methoxyphenyl)azepan-1-yl]methanone Openeye Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[2-(4-methoxyphenyl)azepan-1-yl]methanone CAS Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[2-(4-methoxyphenyl)-1-azepanyl]methanone IUPAC Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[2-(4-methoxyphenyl)azepan-1-yl]methanone Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[2-(4-methoxyphenyl)azepan-1-yl]methanone Formula: C22H25NO4 MolecularWeight: 367.4382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25NO4/c1-25-18-9-6-16(7-10-18)19-5-3-2-4-12-23(19)22(24)17-8-11-20-21(15-17)27-14-13-26-20/h6-11,15,19H,2-5,12-14H2,1H3