11-(6-azanylidene-3-phenyl-pyridazin-1-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)undecan-1-one

Systemtic Name: 11-(6-azanylidene-3-phenyl-pyridazin-1-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)undecan-1-one Openeye Name: 11-(6-imino-3-phenyl-pyridazin-1-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)undecan-1-one CAS Name: 11-(6-imino-3-phenyl-1-pyridazinyl)-1-[4-(2-pyrimidinyl)-1-piperazinyl]-1-undecanone IUPAC Name: 11-(6-imino-3-phenylpyridazin-1-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)undecan-1-one Traditional Name: 11-(6-imino-3-phenyl-pyridazin-1-yl)-1-[4-(2-pyrimidyl)piperazino]undecan-1-one Formula: C29H39N7O MolecularWeight: 501.66626

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)CCCCCCCCCCN3C(=N)C=CC(=N3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)CCCCCCCCCCN3C(=N)C=CC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C29H39N7O/c30-27-17-16-26(25-13-8-7-9-14-25)33-36(27)20-11-6-4-2-1-3-5-10-15-28(37)34-21-23-35(24-22-34)29-31-18-12-19-32-29/h7-9,12-14,16-19,30H,1-6,10-11,15,20-24H2