tert-butyl 4-[1-[(4-methoxyphenyl)methyl]-6-oxidanylidene-3-phenyl-pyridazin-4-yl]oxypiperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[1-[(4-methoxyphenyl)methyl]-6-oxidanylidene-3-phenyl-pyridazin-4-yl]oxypiperidine-1-carboxylate Openeye Name: tert-butyl 4-[1-[(4-methoxyphenyl)methyl]-6-oxo-3-phenyl-pyridazin-4-yl]oxypiperidine-1-carboxylate CAS Name: 4-[[1-[(4-methoxyphenyl)methyl]-6-oxo-3-phenyl-4-pyridazinyl]oxy]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[1-[(4-methoxyphenyl)methyl]-6-oxo-3-phenylpyridazin-4-yl]oxypiperidine-1-carboxylate Traditional Name: 4-(6-keto-1-p-anisyl-3-phenyl-pyridazin-4-yl)oxypiperidine-1-carboxylic acid tert-butyl ester Formula: C28H33N3O5 MolecularWeight: 491.57872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)OC2=CC(=O)N(N=C2C3=CC=CC=C3)CC4=CC=C(C=C4)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)OC2=CC(=O)N(N=C2C3=CC=CC=C3)CC4=CC=C(C=C4)OC

InChI

InChI=1S/C28H33N3O5/c1-28(2,3)36-27(33)30-16-14-23(15-17-30)35-24-18-25(32)31(19-20-10-12-22(34-4)13-11-20)29-26(24)21-8-6-5-7-9-21/h5-13,18,23H,14-17,19H2,1-4H3