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

Systemtic Name: 3-but-2-ynyl-5-[(1-methylbenzotriazol-5-yl)methyl]-2-piperazin-1-yl-imidazo[4,5-d]pyridazin-4-one Openeye Name: 3-but-2-ynyl-5-[(1-methylbenzotriazol-5-yl)methyl]-2-piperazin-1-yl-imidazo[4,5-d]pyridazin-4-one CAS Name: 3-but-2-ynyl-5-[(1-methyl-5-benzotriazolyl)methyl]-2-(1-piperazinyl)-4-imidazo[4,5-d]pyridazinone IUPAC Name: 3-but-2-ynyl-5-[(1-methylbenzotriazol-5-yl)methyl]-2-piperazin-1-ylimidazo[4,5-d]pyridazin-4-one Traditional Name: 3-but-2-ynyl-5-[(1-methylbenzotriazol-5-yl)methyl]-2-piperazino-imidazo[4,5-d]pyridazin-4-one Formula: C21H23N9O MolecularWeight: 417.46702

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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=C1N5CCNCC5

Isomeric SMILES

CC#CCN1C2=C(C=NN(C2=O)CC3=CC4=C(C=C3)N(N=N4)C)N=C1N5CCNCC5

InChI

InChI=1S/C21H23N9O/c1-3-4-9-29-19-17(24-21(29)28-10-7-22-8-11-28)13-23-30(20(19)31)14-15-5-6-18-16(12-15)25-26-27(18)2/h5-6,12-13,22H,7-11,14H2,1-2H3