(3-chloranyl-1-adamantyl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone

Systemtic Name: (3-chloranyl-1-adamantyl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone Openeye Name: (3-chloro-1-adamantyl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone CAS Name: (3-chloro-1-adamantyl)-[4-(4-nitrophenyl)-1-piperazinyl]methanone IUPAC Name: (3-chloro-1-adamantyl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone Traditional Name: (3-chloro-1-adamantyl)-[4-(4-nitrophenyl)piperazino]methanone Formula: C21H26ClN3O3 MolecularWeight: 403.90244

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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