3-(2,3-dimethoxyphenyl)-1-[2-(1-methylpyrrol-2-yl)azepan-1-yl]propan-1-one

Systemtic Name: 3-(2,3-dimethoxyphenyl)-1-[2-(1-methylpyrrol-2-yl)azepan-1-yl]propan-1-one Openeye Name: 3-(2,3-dimethoxyphenyl)-1-[2-(1-methylpyrrol-2-yl)azepan-1-yl]propan-1-one CAS Name: 3-(2,3-dimethoxyphenyl)-1-[2-(1-methyl-2-pyrrolyl)-1-azepanyl]-1-propanone IUPAC Name: 3-(2,3-dimethoxyphenyl)-1-[2-(1-methylpyrrol-2-yl)azepan-1-yl]propan-1-one Traditional Name: 3-(2,3-dimethoxyphenyl)-1-[2-(1-methylpyrrol-2-yl)azepan-1-yl]propan-1-one Formula: C22H30N2O3 MolecularWeight: 370.4852

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C2CCCCCN2C(=O)CCC3=C(C(=CC=C3)OC)OC

Isomeric SMILES

CN1C=CC=C1C2CCCCCN2C(=O)CCC3=C(C(=CC=C3)OC)OC

InChI

InChI=1S/C22H30N2O3/c1-23-15-8-11-18(23)19-10-5-4-6-16-24(19)21(25)14-13-17-9-7-12-20(26-2)22(17)27-3/h7-9,11-12,15,19H,4-6,10,13-14,16H2,1-3H3