1-adamantylmethyl 4-(4-nitrophenyl)piperazine-1-carboxylate

Systemtic Name: 1-adamantylmethyl 4-(4-nitrophenyl)piperazine-1-carboxylate Openeye Name: 1-adamantylmethyl 4-(4-nitrophenyl)piperazine-1-carboxylate CAS Name: 4-(4-nitrophenyl)-1-piperazinecarboxylic acid 1-adamantylmethyl ester IUPAC Name: 1-adamantylmethyl 4-(4-nitrophenyl)piperazine-1-carboxylate Traditional Name: 4-(4-nitrophenyl)piperazine-1-carboxylic acid 1-adamantylmethyl ester Formula: C22H29N3O4 MolecularWeight: 399.48336

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OCC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OCC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H29N3O4/c26-21(29-15-22-12-16-9-17(13-22)11-18(10-16)14-22)24-7-5-23(6-8-24)19-1-3-20(4-2-19)25(27)28/h1-4,16-18H,5-15H2