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

Systemtic Name: [4-(1-adamantyl)piperazin-1-yl]-(4-chloranyl-2-nitro-phenyl)methanone Openeye Name: [4-(1-adamantyl)piperazin-1-yl]-(4-chloro-2-nitro-phenyl)methanone CAS Name: [4-(1-adamantyl)-1-piperazinyl]-(4-chloro-2-nitrophenyl)methanone IUPAC Name: [4-(1-adamantyl)piperazin-1-yl]-(4-chloro-2-nitrophenyl)methanone Traditional Name: [4-(1-adamantyl)piperazino]-(4-chloro-2-nitro-phenyl)methanone Formula: C21H26ClN3O3 MolecularWeight: 403.90244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-])C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CN(CCN1C(=O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-])C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C21H26ClN3O3/c22-17-1-2-18(19(10-17)25(27)28)20(26)23-3-5-24(6-4-23)21-11-14-7-15(12-21)9-16(8-14)13-21/h1-2,10,14-16H,3-9,11-13H2