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

Systemtic Name: 2-(3-azanylpiperidin-1-yl)-3-but-2-ynyl-5-(naphthalen-1-ylmethyl)imidazo[4,5-d]pyridazin-4-one hydrochloride Openeye Name: 2-(3-amino-1-piperidyl)-3-but-2-ynyl-5-(1-naphthylmethyl)imidazo[4,5-d]pyridazin-4-one hydrochloride CAS Name: 2-(3-amino-1-piperidinyl)-3-but-2-ynyl-5-(1-naphthalenylmethyl)-4-imidazo[4,5-d]pyridazinone hydrochloride IUPAC Name: 2-(3-aminopiperidin-1-yl)-3-but-2-ynyl-5-(naphthalen-1-ylmethyl)imidazo[4,5-d]pyridazin-4-one hydrochloride Traditional Name: 2-(3-aminopiperidino)-3-but-2-ynyl-5-(1-naphthylmethyl)imidazo[4,5-d]pyridazin-4-one hydrochloride Formula: C25H27ClN6O MolecularWeight: 462.97448

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(C=NN(C2=O)CC3=CC=CC4=CC=CC=C43)N=C1N5CCCC(C5)N.Cl

Isomeric SMILES

CC#CCN1C2=C(C=NN(C2=O)CC3=CC=CC4=CC=CC=C43)N=C1N5CCCC(C5)N.Cl

InChI

InChI=1S/C25H26N6O.ClH/c1-2-3-14-30-23-22(28-25(30)29-13-7-11-20(26)17-29)15-27-31(24(23)32)16-19-10-6-9-18-8-4-5-12-21(18)19;/h4-6,8-10,12,15,20H,7,11,13-14,16-17,26H2,1H3;1H