2-[(3-nitrophenyl)methyl]-6-(4-piperidin-1-ylphenyl)pyridazin-3-one

Systemtic Name: 2-[(3-nitrophenyl)methyl]-6-(4-piperidin-1-ylphenyl)pyridazin-3-one Openeye Name: 2-[(3-nitrophenyl)methyl]-6-[4-(1-piperidyl)phenyl]pyridazin-3-one CAS Name: 2-[(3-nitrophenyl)methyl]-6-[4-(1-piperidinyl)phenyl]-3-pyridazinone IUPAC Name: 2-[(3-nitrophenyl)methyl]-6-(4-piperidin-1-ylphenyl)pyridazin-3-one Traditional Name: 2-(3-nitrobenzyl)-6-(4-piperidinophenyl)pyridazin-3-one Formula: C22H22N4O3 MolecularWeight: 390.43508

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC=C(C=C2)C3=NN(C(=O)C=C3)CC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=CC=C(C=C2)C3=NN(C(=O)C=C3)CC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H22N4O3/c27-22-12-11-21(18-7-9-19(10-8-18)24-13-2-1-3-14-24)23-25(22)16-17-5-4-6-20(15-17)26(28)29/h4-12,15H,1-3,13-14,16H2