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

Systemtic Name: 2-(3-azanylpiperidin-1-yl)-5-(naphthalen-1-ylmethyl)-3-(phenylmethyl)imidazo[4,5-d]pyridazin-4-one Openeye Name: 2-(3-amino-1-piperidyl)-3-benzyl-5-(1-naphthylmethyl)imidazo[4,5-d]pyridazin-4-one CAS Name: 2-(3-amino-1-piperidinyl)-5-(1-naphthalenylmethyl)-3-(phenylmethyl)-4-imidazo[4,5-d]pyridazinone IUPAC Name: 2-(3-aminopiperidin-1-yl)-3-benzyl-5-(naphthalen-1-ylmethyl)imidazo[4,5-d]pyridazin-4-one Traditional Name: 2-(3-aminopiperidino)-3-benzyl-5-(1-naphthylmethyl)imidazo[4,5-d]pyridazin-4-one Formula: C28H28N6O MolecularWeight: 464.56152

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NC3=C(N2CC4=CC=CC=C4)C(=O)N(N=C3)CC5=CC=CC6=CC=CC=C65)N

Isomeric SMILES

C1CC(CN(C1)C2=NC3=C(N2CC4=CC=CC=C4)C(=O)N(N=C3)CC5=CC=CC6=CC=CC=C65)N

InChI

InChI=1S/C28H28N6O/c29-23-13-7-15-32(19-23)28-31-25-16-30-34(18-22-12-6-11-21-10-4-5-14-24(21)22)27(35)26(25)33(28)17-20-8-2-1-3-9-20/h1-6,8-12,14,16,23H,7,13,15,17-19,29H2