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

Systemtic Name: 2-(3-azanylpiperidin-1-yl)-5-[(4-bromanylnaphthalen-1-yl)methyl]-3-but-2-ynyl-imidazo[4,5-d]pyridazin-4-one Openeye Name: 2-(3-amino-1-piperidyl)-5-[(4-bromo-1-naphthyl)methyl]-3-but-2-ynyl-imidazo[4,5-d]pyridazin-4-one CAS Name: 2-(3-amino-1-piperidinyl)-5-[(4-bromo-1-naphthalenyl)methyl]-3-but-2-ynyl-4-imidazo[4,5-d]pyridazinone IUPAC Name: 2-(3-aminopiperidin-1-yl)-5-[(4-bromonaphthalen-1-yl)methyl]-3-but-2-ynylimidazo[4,5-d]pyridazin-4-one Traditional Name: 2-(3-aminopiperidino)-5-[(4-bromo-1-naphthyl)methyl]-3-but-2-ynyl-imidazo[4,5-d]pyridazin-4-one Formula: C25H25BrN6O MolecularWeight: 505.4096

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(C=NN(C2=O)CC3=CC=C(C4=CC=CC=C34)Br)N=C1N5CCCC(C5)N

Isomeric SMILES

CC#CCN1C2=C(C=NN(C2=O)CC3=CC=C(C4=CC=CC=C34)Br)N=C1N5CCCC(C5)N

InChI

InChI=1S/C25H25BrN6O/c1-2-3-13-31-23-22(29-25(31)30-12-6-7-18(27)16-30)14-28-32(24(23)33)15-17-10-11-21(26)20-9-5-4-8-19(17)20/h4-5,8-11,14,18H,6-7,12-13,15-16,27H2,1H3