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

Systemtic Name: 2-(3-azanylpiperidin-1-yl)-3-but-2-ynyl-5-[(4-phenylquinazolin-2-yl)methyl]imidazo[4,5-d]pyridazin-4-one Openeye Name: 2-(3-amino-1-piperidyl)-3-but-2-ynyl-5-[(4-phenylquinazolin-2-yl)methyl]imidazo[4,5-d]pyridazin-4-one CAS Name: 2-(3-amino-1-piperidinyl)-3-but-2-ynyl-5-[(4-phenyl-2-quinazolinyl)methyl]-4-imidazo[4,5-d]pyridazinone IUPAC Name: 2-(3-aminopiperidin-1-yl)-3-but-2-ynyl-5-[(4-phenylquinazolin-2-yl)methyl]imidazo[4,5-d]pyridazin-4-one Traditional Name: 2-(3-aminopiperidino)-3-but-2-ynyl-5-[(4-phenylquinazolin-2-yl)methyl]imidazo[4,5-d]pyridazin-4-one Formula: C29H28N8O MolecularWeight: 504.58562

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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=C1N6CCCC(C6)N

Isomeric SMILES

CC#CCN1C2=C(C=NN(C2=O)CC3=NC4=CC=CC=C4C(=N3)C5=CC=CC=C5)N=C1N6CCCC(C6)N

InChI

InChI=1S/C29H28N8O/c1-2-3-16-36-27-24(33-29(36)35-15-9-12-21(30)18-35)17-31-37(28(27)38)19-25-32-23-14-8-7-13-22(23)26(34-25)20-10-5-4-6-11-20/h4-8,10-11,13-14,17,21H,9,12,15-16,18-19,30H2,1H3