2-(1-adamantyl)-4-chloranyl-5-[2-[(4-nitrophenyl)amino]ethylamino]pyridazin-3-one

Systemtic Name: 2-(1-adamantyl)-4-chloranyl-5-[2-[(4-nitrophenyl)amino]ethylamino]pyridazin-3-one Openeye Name: 2-(1-adamantyl)-4-chloro-5-[2-(4-nitroanilino)ethylamino]pyridazin-3-one CAS Name: 2-(1-adamantyl)-4-chloro-5-[2-(4-nitroanilino)ethylamino]-3-pyridazinone IUPAC Name: 2-(1-adamantyl)-4-chloro-5-[2-(4-nitroanilino)ethylamino]pyridazin-3-one Traditional Name: 2-(1-adamantyl)-4-chloro-5-[2-(4-nitroanilino)ethylamino]pyridazin-3-one Formula: C22H26ClN5O3 MolecularWeight: 443.92654

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)N4C(=O)C(=C(C=N4)NCCNC5=CC=C(C=C5)[N+](=O)[O-])Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)N4C(=O)C(=C(C=N4)NCCNC5=CC=C(C=C5)[N+](=O)[O-])Cl

InChI

InChI=1S/C22H26ClN5O3/c23-20-19(25-6-5-24-17-1-3-18(4-2-17)28(30)31)13-26-27(21(20)29)22-10-14-7-15(11-22)9-16(8-14)12-22/h1-4,13-16,24-25H,5-12H2