[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(3-bromanyl-1-methyl-indol-2-yl)methanone

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(3-bromanyl-1-methyl-indol-2-yl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(3-bromo-1-methyl-indol-2-yl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-(3-bromo-1-methyl-2-indolyl)methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(3-bromo-1-methylindol-2-yl)methanone Traditional Name: (3-bromo-1-methyl-indol-2-yl)-(4-piperonylpiperazino)methanone Formula: C22H22BrN3O3 MolecularWeight: 456.33238

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=C1C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)Br

Isomeric SMILES

CN1C2=CC=CC=C2C(=C1C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)Br

InChI

InChI=1S/C22H22BrN3O3/c1-24-17-5-3-2-4-16(17)20(23)21(24)22(27)26-10-8-25(9-11-26)13-15-6-7-18-19(12-15)29-14-28-18/h2-7,12H,8-11,13-14H2,1H3