methyl 4-[(6-oxidanylidene-3-phenyl-4-piperidin-1-yl-pyridazin-1-yl)methyl]benzoate

Systemtic Name: methyl 4-[(6-oxidanylidene-3-phenyl-4-piperidin-1-yl-pyridazin-1-yl)methyl]benzoate Openeye Name: methyl 4-[[6-oxo-3-phenyl-4-(1-piperidyl)pyridazin-1-yl]methyl]benzoate CAS Name: 4-[[6-oxo-3-phenyl-4-(1-piperidinyl)-1-pyridazinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(6-oxo-3-phenyl-4-piperidin-1-ylpyridazin-1-yl)methyl]benzoate Traditional Name: 4-[(6-keto-3-phenyl-4-piperidino-pyridazin-1-yl)methyl]benzoic acid methyl ester Formula: C24H25N3O3 MolecularWeight: 403.4736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25N3O3/c1-30-24(29)20-12-10-18(11-13-20)17-27-22(28)16-21(26-14-6-3-7-15-26)23(25-27)19-8-4-2-5-9-19/h2,4-5,8-13,16H,3,6-7,14-15,17H2,1H3