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

Systemtic Name: 8-[4-(2-methoxyphenyl)-1-oxidanyl-4-piperazin-1-yl-butyl]-3-methyl-2-phenyl-chromen-4-one hydrate hydrochloride Openeye Name: 8-[1-hydroxy-4-(2-methoxyphenyl)-4-piperazin-1-yl-butyl]-3-methyl-2-phenyl-chromen-4-one hydrate hydrochloride CAS Name: 8-[1-hydroxy-4-(2-methoxyphenyl)-4-(1-piperazinyl)butyl]-3-methyl-2-phenyl-1-benzopyran-4-one hydrate hydrochloride IUPAC Name: 8-[1-hydroxy-4-(2-methoxyphenyl)-4-piperazin-1-ylbutyl]-3-methyl-2-phenylchromen-4-one hydrate hydrochloride Traditional Name: 8-[1-hydroxy-4-(2-methoxyphenyl)-4-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(CCC(C3=CC=CC=C3OC)N4CCNCC4)O)C5=CC=CC=C5.O.Cl

Isomeric SMILES

CC1=C(OC2=C(C1=O)C=CC=C2C(CCC(C3=CC=CC=C3OC)N4CCNCC4)O)C5=CC=CC=C5.O.Cl

InChI

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