1-[4-[1-(4-aminophenyl)piperazin-2-yl]-7-iodanyl-3-oxidanyl-1,2,3,4-tetrahydronaphthalen-2-yl]ethanone

Systemtic Name: 1-[4-[1-(4-aminophenyl)piperazin-2-yl]-7-iodanyl-3-oxidanyl-1,2,3,4-tetrahydronaphthalen-2-yl]ethanone Openeye Name: 1-[4-[1-(4-aminophenyl)piperazin-2-yl]-3-hydroxy-7-iodo-tetralin-2-yl]ethanone CAS Name: 1-[4-[1-(4-aminophenyl)-2-piperazinyl]-3-hydroxy-7-iodo-1,2,3,4-tetrahydronaphthalen-2-yl]ethanone IUPAC Name: 1-[4-[1-(4-aminophenyl)piperazin-2-yl]-3-hydroxy-7-iodo-1,2,3,4-tetrahydronaphthalen-2-yl]ethanone Traditional Name: 1-[4-[1-(4-aminophenyl)piperazin-2-yl]-3-hydroxy-7-iodo-tetralin-2-yl]ethanone Formula: C22H26IN3O2 MolecularWeight: 491.36521

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1CC2=C(C=CC(=C2)I)C(C1O)C3CNCCN3C4=CC=C(C=C4)N

Isomeric SMILES

CC(=O)C1CC2=C(C=CC(=C2)I)C(C1O)C3CNCCN3C4=CC=C(C=C4)N

InChI

InChI=1S/C22H26IN3O2/c1-13(27)19-11-14-10-15(23)2-7-18(14)21(22(19)28)20-12-25-8-9-26(20)17-5-3-16(24)4-6-17/h2-7,10,19-22,25,28H,8-9,11-12,24H2,1H3