5-chloranyl-4-[[3-phenyl-1-(phenylmethyl)pyrazol-4-yl]methylamino]-1H-pyridazin-6-one

Systemtic Name: 5-chloranyl-4-[[3-phenyl-1-(phenylmethyl)pyrazol-4-yl]methylamino]-1H-pyridazin-6-one Openeye Name: 4-[(1-benzyl-3-phenyl-pyrazol-4-yl)methylamino]-5-chloro-1H-pyridazin-6-one CAS Name: 5-chloro-4-[[3-phenyl-1-(phenylmethyl)-4-pyrazolyl]methylamino]-1H-pyridazin-6-one IUPAC Name: 4-[(1-benzyl-3-phenylpyrazol-4-yl)methylamino]-5-chloro-1H-pyridazin-6-one Traditional Name: 4-[(1-benzyl-3-phenyl-pyrazol-4-yl)methylamino]-5-chloro-1H-pyridazin-6-one Formula: C21H18ClN5O MolecularWeight: 391.85352

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C(=N2)C3=CC=CC=C3)CNC4=C(C(=O)NN=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C(=N2)C3=CC=CC=C3)CNC4=C(C(=O)NN=C4)Cl

InChI

InChI=1S/C21H18ClN5O/c22-19-18(12-24-25-21(19)28)23-11-17-14-27(13-15-7-3-1-4-8-15)26-20(17)16-9-5-2-6-10-16/h1-10,12,14H,11,13H2,(H2,23,25,28)