5-decoxy-2-[(4-phenethylpiperazin-1-yl)methyl]-1-(phenylmethyl)pyridin-4-one dihydrochloride

Systemtic Name: 5-decoxy-2-[(4-phenethylpiperazin-1-yl)methyl]-1-(phenylmethyl)pyridin-4-one dihydrochloride Openeye Name: 1-benzyl-5-decoxy-2-[(4-phenethylpiperazin-1-yl)methyl]pyridin-4-one dihydrochloride CAS Name: 5-decoxy-2-[(4-phenethyl-1-piperazinyl)methyl]-1-(phenylmethyl)-4-pyridinone dihydrochloride IUPAC Name: 1-benzyl-5-decoxy-2-[(4-phenethylpiperazin-1-yl)methyl]pyridin-4-one dihydrochloride Traditional Name: 1-benzyl-5-decoxy-2-[(4-phenethylpiperazino)methyl]-4-pyridone dihydrochloride Formula: C35H51Cl2N3O2 MolecularWeight: 616.70434

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CN(C(=CC1=O)CN2CCN(CC2)CCC3=CC=CC=C3)CC4=CC=CC=C4.Cl.Cl

Isomeric SMILES

CCCCCCCCCCOC1=CN(C(=CC1=O)CN2CCN(CC2)CCC3=CC=CC=C3)CC4=CC=CC=C4.Cl.Cl

InChI

InChI=1S/C35H49N3O2.2ClH/c1-2-3-4-5-6-7-8-15-26-40-35-30-38(28-32-18-13-10-14-19-32)33(27-34(35)39)29-37-24-22-36(23-25-37)21-20-31-16-11-9-12-17-31;;/h9-14,16-19,27,30H,2-8,15,20-26,28-29H2,1H3;2*1H