2-(1-adamantyl)-4-chloranyl-5-(4-phenylbutan-2-ylamino)pyridazin-3-one

Systemtic Name: 2-(1-adamantyl)-4-chloranyl-5-(4-phenylbutan-2-ylamino)pyridazin-3-one Openeye Name: 2-(1-adamantyl)-4-chloro-5-[(1-methyl-3-phenyl-propyl)amino]pyridazin-3-one CAS Name: 2-(1-adamantyl)-4-chloro-5-(4-phenylbutan-2-ylamino)-3-pyridazinone IUPAC Name: 2-(1-adamantyl)-4-chloro-5-(4-phenylbutan-2-ylamino)pyridazin-3-one Traditional Name: 2-(1-adamantyl)-4-chloro-5-[(1-methyl-3-phenyl-propyl)amino]pyridazin-3-one Formula: C24H30ClN3O MolecularWeight: 411.9675

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NC2=C(C(=O)N(N=C2)C34CC5CC(C3)CC(C5)C4)Cl

Isomeric SMILES

CC(CCC1=CC=CC=C1)NC2=C(C(=O)N(N=C2)C34CC5CC(C3)CC(C5)C4)Cl

InChI

InChI=1S/C24H30ClN3O/c1-16(7-8-17-5-3-2-4-6-17)27-21-15-26-28(23(29)22(21)25)24-12-18-9-19(13-24)11-20(10-18)14-24/h2-6,15-16,18-20,27H,7-14H2,1H3