(3-chloranyl-1-adamantyl)-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]methanone

Systemtic Name: (3-chloranyl-1-adamantyl)-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]methanone Openeye Name: (3-chloro-1-adamantyl)-[4-(4-chloro-2-nitro-phenyl)piperazin-1-yl]methanone CAS Name: (3-chloro-1-adamantyl)-[4-(4-chloro-2-nitrophenyl)-1-piperazinyl]methanone IUPAC Name: (3-chloro-1-adamantyl)-[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]methanone Traditional Name: (3-chloro-1-adamantyl)-[4-(4-chloro-2-nitro-phenyl)piperazino]methanone Formula: C21H25Cl2N3O3 MolecularWeight: 438.3475

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)Cl)[N+](=O)[O-])C(=O)C34CC5CC(C3)CC(C5)(C4)Cl

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)Cl)[N+](=O)[O-])C(=O)C34CC5CC(C3)CC(C5)(C4)Cl

InChI

InChI=1S/C21H25Cl2N3O3/c22-16-1-2-17(18(8-16)26(28)29)24-3-5-25(6-4-24)19(27)20-9-14-7-15(10-20)12-21(23,11-14)13-20/h1-2,8,14-15H,3-7,9-13H2