2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methyl-N-[(3-methyl-4-oxidanylidene-2-phenyl-chromen-8-yl)methyl]ethanamide hydrate hydrochloride

Systemtic Name: 2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methyl-N-[(3-methyl-4-oxidanylidene-2-phenyl-chromen-8-yl)methyl]ethanamide hydrate hydrochloride Openeye Name: 2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methyl-N-[(3-methyl-4-oxo-2-phenyl-chromen-8-yl)methyl]acetamide hydrate hydrochloride CAS Name: 2-[4-(2-methoxyphenyl)-1-piperazinyl]-N-methyl-N-[(3-methyl-4-oxo-2-phenyl-1-benzopyran-8-yl)methyl]acetamide hydrate hydrochloride IUPAC Name: 2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methyl-N-[(3-methyl-4-oxo-2-phenylchromen-8-yl)methyl]acetamide hydrate hydrochloride Traditional Name: N-[(4-keto-3-methyl-2-phenyl-chromen-8-yl)methyl]-2-[4-(2-methoxyphenyl)piperazino]-N-methyl-acetamide hydrate hydrochloride Formula: C31H36ClN3O5 MolecularWeight: 566.08764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C(C1=O)C=CC=C2CN(C)C(=O)CN3CCN(CC3)C4=CC=CC=C4OC)C5=CC=CC=C5.O.Cl

Isomeric SMILES

CC1=C(OC2=C(C1=O)C=CC=C2CN(C)C(=O)CN3CCN(CC3)C4=CC=CC=C4OC)C5=CC=CC=C5.O.Cl

InChI

InChI=1S/C31H33N3O4.ClH.H2O/c1-22-29(36)25-13-9-12-24(31(25)38-30(22)23-10-5-4-6-11-23)20-32(2)28(35)21-33-16-18-34(19-17-33)26-14-7-8-15-27(26)37-3;;/h4-15H,16-21H2,1-3H3;1H;1H2