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

Systemtic Name: 2-(1-adamantyl)-4-chloranyl-5-[(3-ethanoylphenyl)amino]pyridazin-3-one Openeye Name: 5-(3-acetylanilino)-2-(1-adamantyl)-4-chloro-pyridazin-3-one CAS Name: 5-(3-acetylanilino)-2-(1-adamantyl)-4-chloro-3-pyridazinone IUPAC Name: 5-(3-acetylanilino)-2-(1-adamantyl)-4-chloropyridazin-3-one Traditional Name: 5-(3-acetylanilino)-2-(1-adamantyl)-4-chloro-pyridazin-3-one Formula: C22H24ClN3O2 MolecularWeight: 397.89786

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC2=C(C(=O)N(N=C2)C34CC5CC(C3)CC(C5)C4)Cl

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC2=C(C(=O)N(N=C2)C34CC5CC(C3)CC(C5)C4)Cl

InChI

InChI=1S/C22H24ClN3O2/c1-13(27)17-3-2-4-18(8-17)25-19-12-24-26(21(28)20(19)23)22-9-14-5-15(10-22)7-16(6-14)11-22/h2-4,8,12,14-16,25H,5-7,9-11H2,1H3