4-(phenylmethoxymethyl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyridazino[4,5-b]indolizin-1-amine

Systemtic Name: 4-(phenylmethoxymethyl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyridazino[4,5-b]indolizin-1-amine Openeye Name: 4-(benzyloxymethyl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyridazino[4,5-b]indolizin-1-amine CAS Name: 4-(phenylmethoxymethyl)-N-[2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]-1-pyridazino[4,5-b]indolizinamine IUPAC Name: 4-(phenylmethoxymethyl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyridazino[4,5-b]indolizin-1-amine Traditional Name: [4-(benzoxymethyl)pyridazin[4,5-b]indolizin-1-yl]-[2-[4-(2-pyrimidyl)piperazino]ethyl]amine Formula: C28H30N8O MolecularWeight: 494.5908

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCNC2=NN=C(C3=C2C=C4N3C=CC=C4)COCC5=CC=CC=C5)C6=NC=CC=N6

Isomeric SMILES

C1CN(CCN1CCNC2=NN=C(C3=C2C=C4N3C=CC=C4)COCC5=CC=CC=C5)C6=NC=CC=N6

InChI

InChI=1S/C28H30N8O/c1-2-7-22(8-3-1)20-37-21-25-26-24(19-23-9-4-5-13-36(23)26)27(33-32-25)29-12-14-34-15-17-35(18-16-34)28-30-10-6-11-31-28/h1-11,13,19H,12,14-18,20-21H2,(H,29,33)