1-(4-methylpiperazin-1-yl)-3,3-bis(pyridin-4-ylmethyl)indol-2-one hydrate dihydrochloride

Systemtic Name: 1-(4-methylpiperazin-1-yl)-3,3-bis(pyridin-4-ylmethyl)indol-2-one hydrate dihydrochloride Openeye Name: 1-(4-methylpiperazin-1-yl)-3,3-bis(4-pyridylmethyl)indolin-2-one hydrate dihydrochloride CAS Name: 1-(4-methyl-1-piperazinyl)-3,3-bis(pyridin-4-ylmethyl)-2-indolone hydrate dihydrochloride IUPAC Name: 1-(4-methylpiperazin-1-yl)-3,3-bis(pyridin-4-ylmethyl)indol-2-one hydrate dihydrochloride Traditional Name: 1-(4-methylpiperazino)-3,3-bis(4-pyridylmethyl)oxindole hydrate dihydrochloride Formula: C25H31Cl2N5O2 MolecularWeight: 504.45194

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)N2C3=CC=CC=C3C(C2=O)(CC4=CC=NC=C4)CC5=CC=NC=C5.O.Cl.Cl

Isomeric SMILES

CN1CCN(CC1)N2C3=CC=CC=C3C(C2=O)(CC4=CC=NC=C4)CC5=CC=NC=C5.O.Cl.Cl

InChI

InChI=1S/C25H27N5O.2ClH.H2O/c1-28-14-16-29(17-15-28)30-23-5-3-2-4-22(23)25(24(30)31,18-20-6-10-26-11-7-20)19-21-8-12-27-13-9-21;;;/h2-13H,14-19H2,1H3;2*1H;1H2