1-(4-cyclohexylpiperazin-1-yl)carbonyl-5-methyl-3-phenyl-pyridazino[4,5-b]indol-4-one

Systemtic Name: 1-(4-cyclohexylpiperazin-1-yl)carbonyl-5-methyl-3-phenyl-pyridazino[4,5-b]indol-4-one Openeye Name: 1-(4-cyclohexylpiperazine-1-carbonyl)-5-methyl-3-phenyl-pyridazino[4,5-b]indol-4-one CAS Name: 1-[(4-cyclohexyl-1-piperazinyl)-oxomethyl]-5-methyl-3-phenyl-4-pyridazino[4,5-b]indolone IUPAC Name: 1-(4-cyclohexylpiperazine-1-carbonyl)-5-methyl-3-phenylpyridazino[4,5-b]indol-4-one Traditional Name: 1-(4-cyclohexylpiperazine-1-carbonyl)-5-methyl-3-phenyl-pyridazin[4,5-b]indol-4-one Formula: C28H31N5O2 MolecularWeight: 469.57804

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C3=C1C(=O)N(N=C3C(=O)N4CCN(CC4)C5CCCCC5)C6=CC=CC=C6

Isomeric SMILES

CN1C2=CC=CC=C2C3=C1C(=O)N(N=C3C(=O)N4CCN(CC4)C5CCCCC5)C6=CC=CC=C6

InChI

InChI=1S/C28H31N5O2/c1-30-23-15-9-8-14-22(23)24-25(29-33(28(35)26(24)30)21-12-6-3-7-13-21)27(34)32-18-16-31(17-19-32)20-10-4-2-5-11-20/h3,6-9,12-15,20H,2,4-5,10-11,16-19H2,1H3