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

Systemtic Name: 3-but-2-ynyl-2-piperazin-1-yl-5-(quinolin-4-ylmethyl)imidazo[4,5-d]pyridazin-4-one Openeye Name: 3-but-2-ynyl-2-piperazin-1-yl-5-(4-quinolylmethyl)imidazo[4,5-d]pyridazin-4-one CAS Name: 3-but-2-ynyl-2-(1-piperazinyl)-5-(4-quinolinylmethyl)-4-imidazo[4,5-d]pyridazinone IUPAC Name: 3-but-2-ynyl-2-piperazin-1-yl-5-(quinolin-4-ylmethyl)imidazo[4,5-d]pyridazin-4-one Traditional Name: 3-but-2-ynyl-2-piperazino-5-(4-quinolylmethyl)imidazo[4,5-d]pyridazin-4-one Formula: C23H23N7O MolecularWeight: 413.47502

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(C=NN(C2=O)CC3=CC=NC4=CC=CC=C34)N=C1N5CCNCC5

Isomeric SMILES

CC#CCN1C2=C(C=NN(C2=O)CC3=CC=NC4=CC=CC=C34)N=C1N5CCNCC5

InChI

InChI=1S/C23H23N7O/c1-2-3-12-29-21-20(27-23(29)28-13-10-24-11-14-28)15-26-30(22(21)31)16-17-8-9-25-19-7-5-4-6-18(17)19/h4-9,15,24H,10-14,16H2,1H3