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

Systemtic Name: 3-but-2-ynyl-2-(1,4-diazepan-1-yl)-5-[(1-methylbenzotriazol-5-yl)methyl]imidazo[4,5-d]pyridazin-4-one Openeye Name: 3-but-2-ynyl-2-(1,4-diazepan-1-yl)-5-[(1-methylbenzotriazol-5-yl)methyl]imidazo[4,5-d]pyridazin-4-one CAS Name: 3-but-2-ynyl-2-(1,4-diazepan-1-yl)-5-[(1-methyl-5-benzotriazolyl)methyl]-4-imidazo[4,5-d]pyridazinone IUPAC Name: 3-but-2-ynyl-2-(1,4-diazepan-1-yl)-5-[(1-methylbenzotriazol-5-yl)methyl]imidazo[4,5-d]pyridazin-4-one Traditional Name: 3-but-2-ynyl-2-(1,4-diazepan-1-yl)-5-[(1-methylbenzotriazol-5-yl)methyl]imidazo[4,5-d]pyridazin-4-one Formula: C22H25N9O MolecularWeight: 431.4936

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(C=NN(C2=O)CC3=CC4=C(C=C3)N(N=N4)C)N=C1N5CCCNCC5

Isomeric SMILES

CC#CCN1C2=C(C=NN(C2=O)CC3=CC4=C(C=C3)N(N=N4)C)N=C1N5CCCNCC5

InChI

InChI=1S/C22H25N9O/c1-3-4-11-30-20-18(25-22(30)29-10-5-8-23-9-12-29)14-24-31(21(20)32)15-16-6-7-19-17(13-16)26-27-28(19)2/h6-7,13-14,23H,5,8-12,15H2,1-2H3