8-[4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxidanyl-butyl]-3-methyl-2-phenyl-chromen-4-one hydrate hydrochloride

Systemtic Name: 8-[4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxidanyl-butyl]-3-methyl-2-phenyl-chromen-4-one hydrate hydrochloride Openeye Name: 8-[1-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3-methyl-2-phenyl-chromen-4-one hydrate hydrochloride CAS Name: 8-[1-hydroxy-4-[4-(2-methoxyphenyl)-1-piperazinyl]butyl]-3-methyl-2-phenyl-1-benzopyran-4-one hydrate hydrochloride IUPAC Name: 8-[1-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3-methyl-2-phenylchromen-4-one hydrate hydrochloride Traditional Name: 8-[1-hydroxy-4-[4-(2-methoxyphenyl)piperazino]butyl]-3-methyl-2-phenyl-chromone hydrate hydrochloride Formula: C31H37ClN2O5 MolecularWeight: 553.08888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C(C1=O)C=CC=C2C(CCCN3CCN(CC3)C4=CC=CC=C4OC)O)C5=CC=CC=C5.O.Cl

Isomeric SMILES

CC1=C(OC2=C(C1=O)C=CC=C2C(CCCN3CCN(CC3)C4=CC=CC=C4OC)O)C5=CC=CC=C5.O.Cl

InChI

InChI=1S/C31H34N2O4.ClH.H2O/c1-22-29(35)25-13-8-12-24(31(25)37-30(22)23-10-4-3-5-11-23)27(34)15-9-17-32-18-20-33(21-19-32)26-14-6-7-16-28(26)36-2;;/h3-8,10-14,16,27,34H,9,15,17-21H2,1-2H3;1H;1H2