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

Systemtic Name: 3-but-2-ynyl-2-(1,4-diazepan-1-yl)-5-[(4-methylpyridin-2-yl)methyl]imidazo[4,5-d]pyridazin-4-one Openeye Name: 3-but-2-ynyl-2-(1,4-diazepan-1-yl)-5-[(4-methyl-2-pyridyl)methyl]imidazo[4,5-d]pyridazin-4-one CAS Name: 3-but-2-ynyl-2-(1,4-diazepan-1-yl)-5-[(4-methyl-2-pyridinyl)methyl]-4-imidazo[4,5-d]pyridazinone IUPAC Name: 3-but-2-ynyl-2-(1,4-diazepan-1-yl)-5-[(4-methylpyridin-2-yl)methyl]imidazo[4,5-d]pyridazin-4-one Traditional Name: 3-but-2-ynyl-2-(1,4-diazepan-1-yl)-5-[(4-methyl-2-pyridyl)methyl]imidazo[4,5-d]pyridazin-4-one Formula: C21H25N7O MolecularWeight: 391.4695

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(C=NN(C2=O)CC3=NC=CC(=C3)C)N=C1N4CCCNCC4

Isomeric SMILES

CC#CCN1C2=C(C=NN(C2=O)CC3=NC=CC(=C3)C)N=C1N4CCCNCC4

InChI

InChI=1S/C21H25N7O/c1-3-4-11-27-19-18(25-21(27)26-10-5-7-22-9-12-26)14-24-28(20(19)29)15-17-13-16(2)6-8-23-17/h6,8,13-14,22H,5,7,9-12,15H2,1-2H3