2-(3-azanylpiperidin-1-yl)-3-but-2-ynyl-7-methyl-5-[(4-phenylquinazolin-2-yl)methyl]imidazo[4,5-d]pyridazin-4-one

Systemtic Name: 2-(3-azanylpiperidin-1-yl)-3-but-2-ynyl-7-methyl-5-[(4-phenylquinazolin-2-yl)methyl]imidazo[4,5-d]pyridazin-4-one Openeye Name: 2-(3-amino-1-piperidyl)-3-but-2-ynyl-7-methyl-5-[(4-phenylquinazolin-2-yl)methyl]imidazo[4,5-d]pyridazin-4-one CAS Name: 2-(3-amino-1-piperidinyl)-3-but-2-ynyl-7-methyl-5-[(4-phenyl-2-quinazolinyl)methyl]-4-imidazo[4,5-d]pyridazinone IUPAC Name: 2-(3-aminopiperidin-1-yl)-3-but-2-ynyl-7-methyl-5-[(4-phenylquinazolin-2-yl)methyl]imidazo[4,5-d]pyridazin-4-one Traditional Name: 2-(3-aminopiperidino)-3-but-2-ynyl-7-methyl-5-[(4-phenylquinazolin-2-yl)methyl]imidazo[4,5-d]pyridazin-4-one Formula: C30H30N8O MolecularWeight: 518.6122

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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)C)N=C1N6CCCC(C6)N

Isomeric SMILES

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

InChI

InChI=1S/C30H30N8O/c1-3-4-17-37-28-26(34-30(37)36-16-10-13-22(31)18-36)20(2)35-38(29(28)39)19-25-32-24-15-9-8-14-23(24)27(33-25)21-11-6-5-7-12-21/h5-9,11-12,14-15,22H,10,13,16-19,31H2,1-2H3