1-phenyl-3,3-bis(pyridin-4-ylmethyl)indol-2-one hydrate hydrochloride

Systemtic Name: 1-phenyl-3,3-bis(pyridin-4-ylmethyl)indol-2-one hydrate hydrochloride Openeye Name: 1-phenyl-3,3-bis(4-pyridylmethyl)indolin-2-one hydrate hydrochloride CAS Name: 1-phenyl-3,3-bis(pyridin-4-ylmethyl)-2-indolone hydrate hydrochloride IUPAC Name: 1-phenyl-3,3-bis(pyridin-4-ylmethyl)indol-2-one hydrate hydrochloride Traditional Name: 1-phenyl-3,3-bis(4-pyridylmethyl)oxindole hydrate hydrochloride Formula: C26H24ClN3O2 MolecularWeight: 445.94066

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=CC=CC=C3C(C2=O)(CC4=CC=NC=C4)CC5=CC=NC=C5.O.Cl

Isomeric SMILES

C1=CC=C(C=C1)N2C3=CC=CC=C3C(C2=O)(CC4=CC=NC=C4)CC5=CC=NC=C5.O.Cl

InChI

InChI=1S/C26H21N3O.ClH.H2O/c30-25-26(18-20-10-14-27-15-11-20,19-21-12-16-28-17-13-21)23-8-4-5-9-24(23)29(25)22-6-2-1-3-7-22;;/h1-17H,18-19H2;1H;1H2