5-azanyl-2-[(4-chloranyl-3-phenyl-phenyl)methyl]-1H-pyrazol-3-one

Systemtic Name: 5-azanyl-2-[(4-chloranyl-3-phenyl-phenyl)methyl]-1H-pyrazol-3-one Openeye Name: 5-amino-2-[(4-chloro-3-phenyl-phenyl)methyl]-1H-pyrazol-3-one CAS Name: 5-amino-2-[(4-chloro-3-phenylphenyl)methyl]-1H-pyrazol-3-one IUPAC Name: 5-amino-2-[(4-chloro-3-phenylphenyl)methyl]-1H-pyrazol-3-one Traditional Name: 5-amino-2-(4-chloro-3-phenyl-benzyl)-3-pyrazolin-3-one Formula: C16H14ClN3O MolecularWeight: 299.75486

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C=CC(=C2)CN3C(=O)C=C(N3)N)Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C=CC(=C2)CN3C(=O)C=C(N3)N)Cl

InChI

InChI=1S/C16H14ClN3O/c17-14-7-6-11(10-20-16(21)9-15(18)19-20)8-13(14)12-4-2-1-3-5-12/h1-9,19H,10,18H2