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

Systemtic Name: 2-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)iminomethyl]indene-1,3-dione Openeye Name: 2-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)iminomethyl]indane-1,3-dione CAS Name: 2-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)iminomethyl]indene-1,3-dione IUPAC Name: 2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)iminomethyl]indene-1,3-dione Traditional Name: 2-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)iminomethyl]indane-1,3-quinone Formula: C21H17N3O3 MolecularWeight: 359.37798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=CC3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=CC3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C21H17N3O3/c1-13-18(21(27)24(23(13)2)14-8-4-3-5-9-14)22-12-17-19(25)15-10-6-7-11-16(15)20(17)26/h3-12,17H,1-2H3