1-ethyl-5-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]-3H-indol-2-one hydrate hydrochloride

Systemtic Name: 1-ethyl-5-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]-3H-indol-2-one hydrate hydrochloride Openeye Name: 1-ethyl-5-[2-[4-(1-naphthyl)piperazin-1-yl]ethyl]indolin-2-one hydrate hydrochloride CAS Name: 1-ethyl-5-[2-[4-(1-naphthalenyl)-1-piperazinyl]ethyl]-3H-indol-2-one hydrate hydrochloride IUPAC Name: 1-ethyl-5-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]-3H-indol-2-one hydrate hydrochloride Traditional Name: 1-ethyl-5-[2-[4-(1-naphthyl)piperazino]ethyl]oxindole hydrate hydrochloride Formula: C26H32ClN3O2 MolecularWeight: 454.00418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)CC2=C1C=CC(=C2)CCN3CCN(CC3)C4=CC=CC5=CC=CC=C54.O.Cl

Isomeric SMILES

CCN1C(=O)CC2=C1C=CC(=C2)CCN3CCN(CC3)C4=CC=CC5=CC=CC=C54.O.Cl

InChI

InChI=1S/C26H29N3O.ClH.H2O/c1-2-29-24-11-10-20(18-22(24)19-26(29)30)12-13-27-14-16-28(17-15-27)25-9-5-7-21-6-3-4-8-23(21)25;;/h3-11,18H,2,12-17,19H2,1H3;1H;1H2