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

Systemtic Name: 2-(3-azanylpiperidin-1-yl)-3-but-2-ynyl-5-(isoquinolin-3-ylmethyl)imidazo[4,5-d]pyridazin-4-one Openeye Name: 2-(3-amino-1-piperidyl)-3-but-2-ynyl-5-(3-isoquinolylmethyl)imidazo[4,5-d]pyridazin-4-one CAS Name: 2-(3-amino-1-piperidinyl)-3-but-2-ynyl-5-(3-isoquinolinylmethyl)-4-imidazo[4,5-d]pyridazinone IUPAC Name: 2-(3-aminopiperidin-1-yl)-3-but-2-ynyl-5-(isoquinolin-3-ylmethyl)imidazo[4,5-d]pyridazin-4-one Traditional Name: 2-(3-aminopiperidino)-3-but-2-ynyl-5-(3-isoquinolylmethyl)imidazo[4,5-d]pyridazin-4-one Formula: C24H25N7O MolecularWeight: 427.5016

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(C=NN(C2=O)CC3=CC4=CC=CC=C4C=N3)N=C1N5CCCC(C5)N

Isomeric SMILES

CC#CCN1C2=C(C=NN(C2=O)CC3=CC4=CC=CC=C4C=N3)N=C1N5CCCC(C5)N

InChI

InChI=1S/C24H25N7O/c1-2-3-11-30-22-21(28-24(30)29-10-6-9-19(25)15-29)14-27-31(23(22)32)16-20-12-17-7-4-5-8-18(17)13-26-20/h4-5,7-8,12-14,19H,6,9-11,15-16,25H2,1H3