[4-(1-adamantylcarbonyl)piperazin-1-yl]-(3-chloranyl-4,5-dimethoxy-phenyl)methanone

Systemtic Name: [4-(1-adamantylcarbonyl)piperazin-1-yl]-(3-chloranyl-4,5-dimethoxy-phenyl)methanone Openeye Name: [4-(adamantane-1-carbonyl)piperazin-1-yl]-(3-chloro-4,5-dimethoxy-phenyl)methanone CAS Name: [4-[1-adamantyl(oxo)methyl]-1-piperazinyl]-(3-chloro-4,5-dimethoxyphenyl)methanone IUPAC Name: [4-(adamantane-1-carbonyl)piperazin-1-yl]-(3-chloro-4,5-dimethoxyphenyl)methanone Traditional Name: [4-(adamantane-1-carbonyl)piperazino]-(3-chloro-4,5-dimethoxy-phenyl)methanone Formula: C24H31ClN2O4 MolecularWeight: 446.96694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C(=O)N2CCN(CC2)C(=O)C34CC5CC(C3)CC(C5)C4)Cl)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)C(=O)N2CCN(CC2)C(=O)C34CC5CC(C3)CC(C5)C4)Cl)OC

InChI

InChI=1S/C24H31ClN2O4/c1-30-20-11-18(10-19(25)21(20)31-2)22(28)26-3-5-27(6-4-26)23(29)24-12-15-7-16(13-24)9-17(8-15)14-24/h10-11,15-17H,3-9,12-14H2,1-2H3