N-[3-[5-chloranyl-6-oxidanylidene-4-[(phenylmethyl)amino]pyridazin-1-yl]-1-adamantyl]ethanamide

Systemtic Name: N-[3-[5-chloranyl-6-oxidanylidene-4-[(phenylmethyl)amino]pyridazin-1-yl]-1-adamantyl]ethanamide Openeye Name: N-[3-[4-(benzylamino)-5-chloro-6-oxo-pyridazin-1-yl]-1-adamantyl]acetamide CAS Name: N-[3-[5-chloro-6-oxo-4-[(phenylmethyl)amino]-1-pyridazinyl]-1-adamantyl]acetamide IUPAC Name: N-[3-[4-(benzylamino)-5-chloro-6-oxopyridazin-1-yl]-1-adamantyl]acetamide Traditional Name: N-[3-[4-(benzylamino)-5-chloro-6-keto-pyridazin-1-yl]-1-adamantyl]acetamide Formula: C23H27ClN4O2 MolecularWeight: 426.93908

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC12CC3CC(C1)CC(C3)(C2)N4C(=O)C(=C(C=N4)NCC5=CC=CC=C5)Cl

Isomeric SMILES

CC(=O)NC12CC3CC(C1)CC(C3)(C2)N4C(=O)C(=C(C=N4)NCC5=CC=CC=C5)Cl

InChI

InChI=1S/C23H27ClN4O2/c1-15(29)27-22-8-17-7-18(9-22)11-23(10-17,14-22)28-21(30)20(24)19(13-26-28)25-12-16-5-3-2-4-6-16/h2-6,13,17-18,25H,7-12,14H2,1H3,(H,27,29)