5-[4-(3,3-dimethylbutyl)piperazin-1-yl]-4-[(1-methylpiperidin-3-yl)methoxy]-2-phenyl-pyridazin-3-one

Systemtic Name: 5-[4-(3,3-dimethylbutyl)piperazin-1-yl]-4-[(1-methylpiperidin-3-yl)methoxy]-2-phenyl-pyridazin-3-one Openeye Name: 5-[4-(3,3-dimethylbutyl)piperazin-1-yl]-4-[(1-methyl-3-piperidyl)methoxy]-2-phenyl-pyridazin-3-one CAS Name: 5-[4-(3,3-dimethylbutyl)-1-piperazinyl]-4-[(1-methyl-3-piperidinyl)methoxy]-2-phenyl-3-pyridazinone IUPAC Name: 5-[4-(3,3-dimethylbutyl)piperazin-1-yl]-4-[(1-methylpiperidin-3-yl)methoxy]-2-phenylpyridazin-3-one Traditional Name: 5-[4-(3,3-dimethylbutyl)piperazino]-4-[(1-methyl-3-piperidyl)methoxy]-2-phenyl-pyridazin-3-one Formula: C27H41N5O2 MolecularWeight: 467.64674

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CCN1CCN(CC1)C2=C(C(=O)N(N=C2)C3=CC=CC=C3)OCC4CCCN(C4)C

Isomeric SMILES

CC(C)(C)CCN1CCN(CC1)C2=C(C(=O)N(N=C2)C3=CC=CC=C3)OCC4CCCN(C4)C

InChI

InChI=1S/C27H41N5O2/c1-27(2,3)12-14-30-15-17-31(18-16-30)24-19-28-32(23-10-6-5-7-11-23)26(33)25(24)34-21-22-9-8-13-29(4)20-22/h5-7,10-11,19,22H,8-9,12-18,20-21H2,1-4H3