3-[1-phenyl-4-[[(phenylmethyl)amino]methylidene]pyrazol-1-ium-3-yl]chromen-2-one

Systemtic Name: 3-[1-phenyl-4-[[(phenylmethyl)amino]methylidene]pyrazol-1-ium-3-yl]chromen-2-one Openeye Name: 3-[4-[(benzylamino)methylene]-1-phenyl-pyrazol-1-ium-3-yl]chromen-2-one CAS Name: 3-[1-phenyl-4-[[(phenylmethyl)amino]methylidene]-3-pyrazol-1-iumyl]-1-benzopyran-2-one IUPAC Name: 3-[4-[(benzylamino)methylidene]-1-phenylpyrazol-1-ium-3-yl]chromen-2-one Traditional Name: 3-[4-[(benzylamino)methylene]-1-phenyl-pyrazol-1-ium-3-yl]coumarin Formula: C26H20N3O2+ MolecularWeight: 406.4559

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC=C2C=[N+](N=C2C3=CC4=CC=CC=C4OC3=O)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)CNC=C2C=[N+](N=C2C3=CC4=CC=CC=C4OC3=O)C5=CC=CC=C5

InChI

InChI=1S/C26H19N3O2/c30-26-23(15-20-11-7-8-14-24(20)31-26)25-21(17-27-16-19-9-3-1-4-10-19)18-29(28-25)22-12-5-2-6-13-22/h1-15,17-18H,16H2/p+1