2-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-pyridin-3-yl-methyl]indene-1,3-dione

Systemtic Name: 2-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-pyridin-3-yl-methyl]indene-1,3-dione Openeye Name: 2-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-(3-pyridyl)methyl]indane-1,3-dione CAS Name: 2-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-(3-pyridinyl)methyl]indene-1,3-dione IUPAC Name: 2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-pyridin-3-ylmethyl]indene-1,3-dione Traditional Name: 2-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-(3-pyridyl)methyl]indane-1,3-quinone Formula: C26H21N3O3 MolecularWeight: 423.46324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(C3C(=O)C4=CC=CC=C4C3=O)C5=CN=CC=C5

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(C3C(=O)C4=CC=CC=C4C3=O)C5=CN=CC=C5

InChI

InChI=1S/C26H21N3O3/c1-16-21(26(32)29(28(16)2)18-10-4-3-5-11-18)22(17-9-8-14-27-15-17)23-24(30)19-12-6-7-13-20(19)25(23)31/h3-15,22-23H,1-2H3