2-[4-(3-iodanylpiperazin-1-yl)-3-methyl-phenyl]phenol

Systemtic Name: 2-[4-(3-iodanylpiperazin-1-yl)-3-methyl-phenyl]phenol Openeye Name: 2-[4-(3-iodopiperazin-1-yl)-3-methyl-phenyl]phenol CAS Name: 2-[4-(3-iodo-1-piperazinyl)-3-methylphenyl]phenol IUPAC Name: 2-[4-(3-iodopiperazin-1-yl)-3-methylphenyl]phenol Traditional Name: 2-[4-(3-iodopiperazino)-3-methyl-phenyl]phenol Formula: C17H19IN2O MolecularWeight: 394.25003

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=CC=CC=C2O)N3CCNC(C3)I

Isomeric SMILES

CC1=C(C=CC(=C1)C2=CC=CC=C2O)N3CCNC(C3)I

InChI

InChI=1S/C17H19IN2O/c1-12-10-13(14-4-2-3-5-16(14)21)6-7-15(12)20-9-8-19-17(18)11-20/h2-7,10,17,19,21H,8-9,11H2,1H3