4-[(3-methylcyclohexyl)amino]-1-(phenylmethyl)-6H-[1,2,3]triazolo[4,5-d]pyridazin-7-one

Systemtic Name: 4-[(3-methylcyclohexyl)amino]-1-(phenylmethyl)-6H-[1,2,3]triazolo[4,5-d]pyridazin-7-one Openeye Name: 1-benzyl-4-[(3-methylcyclohexyl)amino]-6H-triazolo[4,5-d]pyridazin-7-one CAS Name: 4-[(3-methylcyclohexyl)amino]-1-(phenylmethyl)-6H-triazolo[4,5-d]pyridazin-7-one IUPAC Name: 1-benzyl-4-[(3-methylcyclohexyl)amino]-6H-triazolo[4,5-d]pyridazin-7-one Traditional Name: 1-benzyl-4-[(3-methylcyclohexyl)amino]-6H-triazolo[4,5-d]pyridazin-7-one Formula: C18H22N6O MolecularWeight: 338.40688

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1)NC2=NNC(=O)C3=C2N=NN3CC4=CC=CC=C4

Isomeric SMILES

CC1CCCC(C1)NC2=NNC(=O)C3=C2N=NN3CC4=CC=CC=C4

InChI

InChI=1S/C18H22N6O/c1-12-6-5-9-14(10-12)19-17-15-16(18(25)22-21-17)24(23-20-15)11-13-7-3-2-4-8-13/h2-4,7-8,12,14H,5-6,9-11H2,1H3,(H,19,21)(H,22,25)