2-[4-[1-(3-iodanylpiperazin-1-yl)-2-[(phenylmethyl)amino]ethyl]phenyl]phenol

Systemtic Name: 2-[4-[1-(3-iodanylpiperazin-1-yl)-2-[(phenylmethyl)amino]ethyl]phenyl]phenol Openeye Name: 2-[4-[2-(benzylamino)-1-(3-iodopiperazin-1-yl)ethyl]phenyl]phenol CAS Name: 2-[4-[1-(3-iodo-1-piperazinyl)-2-[(phenylmethyl)amino]ethyl]phenyl]phenol IUPAC Name: 2-[4-[2-(benzylamino)-1-(3-iodopiperazin-1-yl)ethyl]phenyl]phenol Traditional Name: 2-[4-[2-(benzylamino)-1-(3-iodopiperazino)ethyl]phenyl]phenol Formula: C25H28IN3O MolecularWeight: 513.41379

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(N1)I)C(CNCC2=CC=CC=C2)C3=CC=C(C=C3)C4=CC=CC=C4O

Isomeric SMILES

C1CN(CC(N1)I)C(CNCC2=CC=CC=C2)C3=CC=C(C=C3)C4=CC=CC=C4O

InChI

InChI=1S/C25H28IN3O/c26-25-18-29(15-14-28-25)23(17-27-16-19-6-2-1-3-7-19)21-12-10-20(11-13-21)22-8-4-5-9-24(22)30/h1-13,23,25,27-28,30H,14-18H2