1-[2-oxidanyl-3-[4-(phenylmethyl)piperazin-1-yl]propoxy]-3-propan-2-yl-urea hydrochloride

Systemtic Name: 1-[2-oxidanyl-3-[4-(phenylmethyl)piperazin-1-yl]propoxy]-3-propan-2-yl-urea hydrochloride Openeye Name: 1-[3-(4-benzylpiperazin-1-yl)-2-hydroxy-propoxy]-3-isopropyl-urea hydrochloride CAS Name: 1-[2-hydroxy-3-[4-(phenylmethyl)-1-piperazinyl]propoxy]-3-propan-2-ylurea hydrochloride IUPAC Name: 1-[3-(4-benzylpiperazin-1-yl)-2-hydroxypropoxy]-3-propan-2-ylurea hydrochloride Traditional Name: 1-[3-(4-benzylpiperazino)-2-hydroxy-propoxy]-3-isopropyl-urea hydrochloride Formula: C18H31ClN4O3 MolecularWeight: 386.91674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NOCC(CN1CCN(CC1)CC2=CC=CC=C2)O.Cl

Isomeric SMILES

CC(C)NC(=O)NOCC(CN1CCN(CC1)CC2=CC=CC=C2)O.Cl

InChI

InChI=1S/C18H30N4O3.ClH/c1-15(2)19-18(24)20-25-14-17(23)13-22-10-8-21(9-11-22)12-16-6-4-3-5-7-16;/h3-7,15,17,23H,8-14H2,1-2H3,(H2,19,20,24);1H