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

Systemtic Name: 3-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-5-(phenylmethyl)pyridazino[4,5-b]indol-4-one Openeye Name: 5-benzyl-3-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyridazino[4,5-b]indol-4-one CAS Name: 3-[2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]-5-(phenylmethyl)-4-pyridazino[4,5-b]indolone IUPAC Name: 5-benzyl-3-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyridazino[4,5-b]indol-4-one Traditional Name: 5-benzyl-3-[2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl]pyridazin[4,5-b]indol-4-one Formula: C27H25N7O2 MolecularWeight: 479.5331

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)CN3C(=O)C4=C(C=N3)C5=CC=CC=C5N4CC6=CC=CC=C6

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)CN3C(=O)C4=C(C=N3)C5=CC=CC=C5N4CC6=CC=CC=C6

InChI

InChI=1S/C27H25N7O2/c35-24(31-13-15-32(16-14-31)27-28-11-6-12-29-27)19-34-26(36)25-22(17-30-34)21-9-4-5-10-23(21)33(25)18-20-7-2-1-3-8-20/h1-12,17H,13-16,18-19H2