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

Systemtic Name: 8-methyl-3-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-2H-pyridazino[4,5-b]indol-4-one Openeye Name: 8-methyl-3-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-2H-pyridazino[4,5-b]indol-4-one CAS Name: 8-methyl-3-[2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]-2H-pyridazino[4,5-b]indol-4-one IUPAC Name: 8-methyl-3-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-2H-pyridazino[4,5-b]indol-4-one Traditional Name: 3-[2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl]-8-methyl-2H-pyridazin[4,5-b]indol-4-one Formula: C21H21N7O2 MolecularWeight: 403.43714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C3C2=CNN(C3=O)CC(=O)N4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

CC1=CC2=C(C=C1)N=C3C2=CNN(C3=O)CC(=O)N4CCN(CC4)C5=NC=CC=N5

InChI

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