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

Systemtic Name: 3-but-2-ynyl-5-[(4-methyl-1,3-benzoxazol-2-yl)methyl]-2-piperazin-1-yl-imidazo[4,5-d]pyridazin-4-one Openeye Name: 3-but-2-ynyl-5-[(4-methyl-1,3-benzoxazol-2-yl)methyl]-2-piperazin-1-yl-imidazo[4,5-d]pyridazin-4-one CAS Name: 3-but-2-ynyl-5-[(4-methyl-1,3-benzoxazol-2-yl)methyl]-2-(1-piperazinyl)-4-imidazo[4,5-d]pyridazinone IUPAC Name: 3-but-2-ynyl-5-[(4-methyl-1,3-benzoxazol-2-yl)methyl]-2-piperazin-1-ylimidazo[4,5-d]pyridazin-4-one Traditional Name: 3-but-2-ynyl-5-[(4-methyl-1,3-benzoxazol-2-yl)methyl]-2-piperazino-imidazo[4,5-d]pyridazin-4-one Formula: C22H23N7O2 MolecularWeight: 417.46372

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(C=NN(C2=O)CC3=NC4=C(C=CC=C4O3)C)N=C1N5CCNCC5

Isomeric SMILES

CC#CCN1C2=C(C=NN(C2=O)CC3=NC4=C(C=CC=C4O3)C)N=C1N5CCNCC5

InChI

InChI=1S/C22H23N7O2/c1-3-4-10-28-20-16(25-22(28)27-11-8-23-9-12-27)13-24-29(21(20)30)14-18-26-19-15(2)6-5-7-17(19)31-18/h5-7,13,23H,8-12,14H2,1-2H3