4-(2-cyclohexylethoxy)-5-[4-[(3,5-dimethyl-4-phenylmethoxy-phenyl)methyl]piperazin-1-yl]-2-phenyl-pyridazin-3-one

Systemtic Name: 4-(2-cyclohexylethoxy)-5-[4-[(3,5-dimethyl-4-phenylmethoxy-phenyl)methyl]piperazin-1-yl]-2-phenyl-pyridazin-3-one Openeye Name: 5-[4-[(4-benzyloxy-3,5-dimethyl-phenyl)methyl]piperazin-1-yl]-4-(2-cyclohexylethoxy)-2-phenyl-pyridazin-3-one CAS Name: 4-(2-cyclohexylethoxy)-5-[4-[(3,5-dimethyl-4-phenylmethoxyphenyl)methyl]-1-piperazinyl]-2-phenyl-3-pyridazinone IUPAC Name: 4-(2-cyclohexylethoxy)-5-[4-[(3,5-dimethyl-4-phenylmethoxyphenyl)methyl]piperazin-1-yl]-2-phenylpyridazin-3-one Traditional Name: 5-[4-(4-benzoxy-3,5-dimethyl-benzyl)piperazino]-4-(2-cyclohexylethoxy)-2-phenyl-pyridazin-3-one Formula: C38H46N4O3 MolecularWeight: 606.79684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCC2=CC=CC=C2)C)CN3CCN(CC3)C4=C(C(=O)N(N=C4)C5=CC=CC=C5)OCCC6CCCCC6

Isomeric SMILES

CC1=CC(=CC(=C1OCC2=CC=CC=C2)C)CN3CCN(CC3)C4=C(C(=O)N(N=C4)C5=CC=CC=C5)OCCC6CCCCC6

InChI

InChI=1S/C38H46N4O3/c1-29-24-33(25-30(2)36(29)45-28-32-14-8-4-9-15-32)27-40-19-21-41(22-20-40)35-26-39-42(34-16-10-5-11-17-34)38(43)37(35)44-23-18-31-12-6-3-7-13-31/h4-5,8-11,14-17,24-26,31H,3,6-7,12-13,18-23,27-28H2,1-2H3