2-(azepan-1-yl)-5-methyl-1-phenethyl-6H-imidazo[4,5-d]pyridazine-4,7-dione

Systemtic Name: 2-(azepan-1-yl)-5-methyl-1-phenethyl-6H-imidazo[4,5-d]pyridazine-4,7-dione Openeye Name: 2-(azepan-1-yl)-5-methyl-1-phenethyl-6H-imidazo[4,5-d]pyridazine-4,7-dione CAS Name: 2-(1-azepanyl)-5-methyl-1-phenethyl-6H-imidazo[4,5-d]pyridazine-4,7-dione IUPAC Name: 2-(azepan-1-yl)-5-methyl-1-phenethyl-6H-imidazo[4,5-d]pyridazine-4,7-dione Traditional Name: 2-(azepan-1-yl)-5-methyl-1-phenethyl-6H-imidazo[4,5-d]pyridazine-4,7-quinone Formula: C20H25N5O2 MolecularWeight: 367.4448

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(C(=O)N1)N(C(=N2)N3CCCCCC3)CCC4=CC=CC=C4

Isomeric SMILES

CN1C(=O)C2=C(C(=O)N1)N(C(=N2)N3CCCCCC3)CCC4=CC=CC=C4

InChI

InChI=1S/C20H25N5O2/c1-23-19(27)16-17(18(26)22-23)25(14-11-15-9-5-4-6-10-15)20(21-16)24-12-7-2-3-8-13-24/h4-6,9-10H,2-3,7-8,11-14H2,1H3,(H,22,26)