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

Systemtic Name: N-[3-[5-chloranyl-6-oxidanylidene-4-(4-phenylpiperazin-1-yl)pyridazin-1-yl]-1-adamantyl]ethanamide Openeye Name: N-[3-[5-chloro-6-oxo-4-(4-phenylpiperazin-1-yl)pyridazin-1-yl]-1-adamantyl]acetamide CAS Name: N-[3-[5-chloro-6-oxo-4-(4-phenyl-1-piperazinyl)-1-pyridazinyl]-1-adamantyl]acetamide IUPAC Name: N-[3-[5-chloro-6-oxo-4-(4-phenylpiperazin-1-yl)pyridazin-1-yl]-1-adamantyl]acetamide Traditional Name: N-[3-[5-chloro-6-keto-4-(4-phenylpiperazino)pyridazin-1-yl]-1-adamantyl]acetamide Formula: C26H32ClN5O2 MolecularWeight: 482.01758

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC12CC3CC(C1)CC(C3)(C2)N4C(=O)C(=C(C=N4)N5CCN(CC5)C6=CC=CC=C6)Cl

Isomeric SMILES

CC(=O)NC12CC3CC(C1)CC(C3)(C2)N4C(=O)C(=C(C=N4)N5CCN(CC5)C6=CC=CC=C6)Cl

InChI

InChI=1S/C26H32ClN5O2/c1-18(33)29-25-12-19-11-20(13-25)15-26(14-19,17-25)32-24(34)23(27)22(16-28-32)31-9-7-30(8-10-31)21-5-3-2-4-6-21/h2-6,16,19-20H,7-15,17H2,1H3,(H,29,33)