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

Systemtic Name: N-[3-[5-chloranyl-6-oxidanylidene-4-(1-phenylethylamino)pyridazin-1-yl]-1-adamantyl]ethanamide Openeye Name: N-[3-[5-chloro-6-oxo-4-(1-phenylethylamino)pyridazin-1-yl]-1-adamantyl]acetamide CAS Name: N-[3-[5-chloro-6-oxo-4-(1-phenylethylamino)-1-pyridazinyl]-1-adamantyl]acetamide IUPAC Name: N-[3-[5-chloro-6-oxo-4-(1-phenylethylamino)pyridazin-1-yl]-1-adamantyl]acetamide Traditional Name: N-[3-[5-chloro-6-keto-4-(1-phenylethylamino)pyridazin-1-yl]-1-adamantyl]acetamide Formula: C24H29ClN4O2 MolecularWeight: 440.96566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29ClN4O2/c1-15(19-6-4-3-5-7-19)27-20-13-26-29(22(31)21(20)25)24-11-17-8-18(12-24)10-23(9-17,14-24)28-16(2)30/h3-7,13,15,17-18,27H,8-12,14H2,1-2H3,(H,28,30)