iodanylmethane; 1-(4-methylpiperazin-1-yl)-3-phenyl-2-(phenylmethyl)heptan-3-ol

Systemtic Name: iodanylmethane; 1-(4-methylpiperazin-1-yl)-3-phenyl-2-(phenylmethyl)heptan-3-ol Openeye Name: 2-benzyl-1-(4-methylpiperazin-1-yl)-3-phenyl-heptan-3-ol; iodomethane CAS Name: iodomethane; 1-(4-methyl-1-piperazinyl)-3-phenyl-2-(phenylmethyl)-3-heptanol IUPAC Name: 2-benzyl-1-(4-methylpiperazin-1-yl)-3-phenylheptan-3-ol; iodomethane Traditional Name: 2-benzyl-1-(4-methylpiperazino)-3-phenyl-heptan-3-ol; iodomethane Formula: C26H39IN2O MolecularWeight: 522.50513

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1=CC=CC=C1)(C(CC2=CC=CC=C2)CN3CCN(CC3)C)O.CI

Isomeric SMILES

CCCCC(C1=CC=CC=C1)(C(CC2=CC=CC=C2)CN3CCN(CC3)C)O.CI

InChI

InChI=1S/C25H36N2O.CH3I/c1-3-4-15-25(28,23-13-9-6-10-14-23)24(20-22-11-7-5-8-12-22)21-27-18-16-26(2)17-19-27;1-2/h5-14,24,28H,3-4,15-21H2,1-2H3;1H3