3-but-2-ynyl-5-[(4-phenylquinazolin-2-yl)methyl]-2-piperazin-1-yl-imidazo[4,5-d]pyridazin-4-one

Systemtic Name: 3-but-2-ynyl-5-[(4-phenylquinazolin-2-yl)methyl]-2-piperazin-1-yl-imidazo[4,5-d]pyridazin-4-one Openeye Name: 3-but-2-ynyl-5-[(4-phenylquinazolin-2-yl)methyl]-2-piperazin-1-yl-imidazo[4,5-d]pyridazin-4-one CAS Name: 3-but-2-ynyl-5-[(4-phenyl-2-quinazolinyl)methyl]-2-(1-piperazinyl)-4-imidazo[4,5-d]pyridazinone IUPAC Name: 3-but-2-ynyl-5-[(4-phenylquinazolin-2-yl)methyl]-2-piperazin-1-ylimidazo[4,5-d]pyridazin-4-one Traditional Name: 3-but-2-ynyl-5-[(4-phenylquinazolin-2-yl)methyl]-2-piperazino-imidazo[4,5-d]pyridazin-4-one Formula: C28H26N8O MolecularWeight: 490.55904

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(C=NN(C2=O)CC3=NC4=CC=CC=C4C(=N3)C5=CC=CC=C5)N=C1N6CCNCC6

Isomeric SMILES

CC#CCN1C2=C(C=NN(C2=O)CC3=NC4=CC=CC=C4C(=N3)C5=CC=CC=C5)N=C1N6CCNCC6

InChI

InChI=1S/C28H26N8O/c1-2-3-15-35-26-23(32-28(35)34-16-13-29-14-17-34)18-30-36(27(26)37)19-24-31-22-12-8-7-11-21(22)25(33-24)20-9-5-4-6-10-20/h4-12,18,29H,13-17,19H2,1H3