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

Systemtic Name: 2-(3-azanylpiperidin-1-yl)-3-but-2-ynyl-5-[(2-methylnaphthalen-1-yl)methyl]imidazo[4,5-d]pyridazin-4-one Openeye Name: 2-(3-amino-1-piperidyl)-3-but-2-ynyl-5-[(2-methyl-1-naphthyl)methyl]imidazo[4,5-d]pyridazin-4-one CAS Name: 2-(3-amino-1-piperidinyl)-3-but-2-ynyl-5-[(2-methyl-1-naphthalenyl)methyl]-4-imidazo[4,5-d]pyridazinone IUPAC Name: 2-(3-aminopiperidin-1-yl)-3-but-2-ynyl-5-[(2-methylnaphthalen-1-yl)methyl]imidazo[4,5-d]pyridazin-4-one Traditional Name: 2-(3-aminopiperidino)-3-but-2-ynyl-5-[(2-methyl-1-naphthyl)methyl]imidazo[4,5-d]pyridazin-4-one Formula: C26H28N6O MolecularWeight: 440.54012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H28N6O/c1-3-4-14-31-24-23(29-26(31)30-13-7-9-20(27)16-30)15-28-32(25(24)33)17-22-18(2)11-12-19-8-5-6-10-21(19)22/h5-6,8,10-12,15,20H,7,9,13-14,16-17,27H2,1-2H3