2-(1-adamantyl)-N-[3-chloranyl-4-[4-(2-methylphenyl)carbonylpiperazin-1-yl]phenyl]ethanamide

Systemtic Name: 2-(1-adamantyl)-N-[3-chloranyl-4-[4-(2-methylphenyl)carbonylpiperazin-1-yl]phenyl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[3-chloro-4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]acetamide CAS Name: 2-(1-adamantyl)-N-[3-chloro-4-[4-[(2-methylphenyl)-oxomethyl]-1-piperazinyl]phenyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[3-chloro-4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]acetamide Traditional Name: 2-(1-adamantyl)-N-[3-chloro-4-(4-o-toluoylpiperazino)phenyl]acetamide Formula: C30H36ClN3O2 MolecularWeight: 506.07874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=C(C=C(C=C3)NC(=O)CC45CC6CC(C4)CC(C6)C5)Cl

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=C(C=C(C=C3)NC(=O)CC45CC6CC(C4)CC(C6)C5)Cl

InChI

InChI=1S/C30H36ClN3O2/c1-20-4-2-3-5-25(20)29(36)34-10-8-33(9-11-34)27-7-6-24(15-26(27)31)32-28(35)19-30-16-21-12-22(17-30)14-23(13-21)18-30/h2-7,15,21-23H,8-14,16-19H2,1H3,(H,32,35)