3-[2-(1,3-benzodioxol-5-yl)-2-methyl-piperazin-1-yl]-2-methyl-1-benzofuran-5-amine

Systemtic Name: 3-[2-(1,3-benzodioxol-5-yl)-2-methyl-piperazin-1-yl]-2-methyl-1-benzofuran-5-amine Openeye Name: 3-[2-(1,3-benzodioxol-5-yl)-2-methyl-piperazin-1-yl]-2-methyl-benzofuran-5-amine CAS Name: 3-[2-(1,3-benzodioxol-5-yl)-2-methyl-1-piperazinyl]-2-methyl-5-benzofuranamine IUPAC Name: 3-[2-(1,3-benzodioxol-5-yl)-2-methylpiperazin-1-yl]-2-methyl-1-benzofuran-5-amine Traditional Name: [3-[2-(1,3-benzodioxol-5-yl)-2-methyl-piperazino]-2-methyl-benzofuran-5-yl]amine Formula: C21H23N3O3 MolecularWeight: 365.42562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(O1)C=CC(=C2)N)N3CCNCC3(C)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=C(C2=C(O1)C=CC(=C2)N)N3CCNCC3(C)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H23N3O3/c1-13-20(16-10-15(22)4-6-17(16)27-13)24-8-7-23-11-21(24,2)14-3-5-18-19(9-14)26-12-25-18/h3-6,9-10,23H,7-8,11-12,22H2,1-2H3