3,6,6-trimethyl-1-[4-(4-methylpiperazin-1-yl)carbonylphenyl]-7H-indazole-4,5-dione

Systemtic Name: 3,6,6-trimethyl-1-[4-(4-methylpiperazin-1-yl)carbonylphenyl]-7H-indazole-4,5-dione Openeye Name: 3,6,6-trimethyl-1-[4-(4-methylpiperazine-1-carbonyl)phenyl]-7H-indazole-4,5-dione CAS Name: 3,6,6-trimethyl-1-[4-[(4-methyl-1-piperazinyl)-oxomethyl]phenyl]-7H-indazole-4,5-dione IUPAC Name: 3,6,6-trimethyl-1-[4-(4-methylpiperazine-1-carbonyl)phenyl]-7H-indazole-4,5-dione Traditional Name: 3,6,6-trimethyl-1-[4-(4-methylpiperazine-1-carbonyl)phenyl]-7H-indazole-4,5-quinone Formula: C22H26N4O3 MolecularWeight: 394.46684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C(=O)C(=O)C(C2)(C)C)C3=CC=C(C=C3)C(=O)N4CCN(CC4)C

Isomeric SMILES

CC1=NN(C2=C1C(=O)C(=O)C(C2)(C)C)C3=CC=C(C=C3)C(=O)N4CCN(CC4)C

InChI

InChI=1S/C22H26N4O3/c1-14-18-17(13-22(2,3)20(28)19(18)27)26(23-14)16-7-5-15(6-8-16)21(29)25-11-9-24(4)10-12-25/h5-8H,9-13H2,1-4H3