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

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(2-iodanyl-3-methyl-phenyl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(2-iodo-3-methyl-phenyl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-(2-iodo-3-methylphenyl)methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(2-iodo-3-methylphenyl)methanone Traditional Name: (2-iodo-3-methyl-phenyl)-(4-piperonylpiperazino)methanone Formula: C20H21IN2O3 MolecularWeight: 464.29681

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1I)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC=CC(=C1I)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H21IN2O3/c1-14-3-2-4-16(19(14)21)20(24)23-9-7-22(8-10-23)12-15-5-6-17-18(11-15)26-13-25-17/h2-6,11H,7-10,12-13H2,1H3