2-[(4-tert-butylphenyl)methyl]-6-phenyl-5-piperidin-1-yl-pyridazin-3-one

Systemtic Name: 2-[(4-tert-butylphenyl)methyl]-6-phenyl-5-piperidin-1-yl-pyridazin-3-one Openeye Name: 2-[(4-tert-butylphenyl)methyl]-6-phenyl-5-(1-piperidyl)pyridazin-3-one CAS Name: 2-[(4-tert-butylphenyl)methyl]-6-phenyl-5-(1-piperidinyl)-3-pyridazinone IUPAC Name: 2-[(4-tert-butylphenyl)methyl]-6-phenyl-5-piperidin-1-ylpyridazin-3-one Traditional Name: 2-(4-tert-butylbenzyl)-6-phenyl-5-piperidino-pyridazin-3-one Formula: C26H31N3O MolecularWeight: 401.54384

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CN2C(=O)C=C(C(=N2)C3=CC=CC=C3)N4CCCCC4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN2C(=O)C=C(C(=N2)C3=CC=CC=C3)N4CCCCC4

InChI

InChI=1S/C26H31N3O/c1-26(2,3)22-14-12-20(13-15-22)19-29-24(30)18-23(28-16-8-5-9-17-28)25(27-29)21-10-6-4-7-11-21/h4,6-7,10-15,18H,5,8-9,16-17,19H2,1-3H3