5-methyl-3-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyridazino[4,5-b]indol-4-one

Systemtic Name: 5-methyl-3-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyridazino[4,5-b]indol-4-one Openeye Name: 5-methyl-3-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyridazino[4,5-b]indol-4-one CAS Name: 5-methyl-3-[2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]-4-pyridazino[4,5-b]indolone IUPAC Name: 5-methyl-3-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyridazino[4,5-b]indol-4-one Traditional Name: 3-[2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl]-5-methyl-pyridazin[4,5-b]indol-4-one Formula: C21H21N7O2 MolecularWeight: 403.43714

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C3=C1C(=O)N(N=C3)CC(=O)N4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

CN1C2=CC=CC=C2C3=C1C(=O)N(N=C3)CC(=O)N4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C21H21N7O2/c1-25-17-6-3-2-5-15(17)16-13-24-28(20(30)19(16)25)14-18(29)26-9-11-27(12-10-26)21-22-7-4-8-23-21/h2-8,13H,9-12,14H2,1H3