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

Systemtic Name: [4-(1-adamantyl)piperazin-1-yl]-(3-methyl-4-nitro-phenyl)methanone Openeye Name: [4-(1-adamantyl)piperazin-1-yl]-(3-methyl-4-nitro-phenyl)methanone CAS Name: [4-(1-adamantyl)-1-piperazinyl]-(3-methyl-4-nitrophenyl)methanone IUPAC Name: [4-(1-adamantyl)piperazin-1-yl]-(3-methyl-4-nitrophenyl)methanone Traditional Name: [4-(1-adamantyl)piperazino]-(3-methyl-4-nitro-phenyl)methanone Formula: C22H29N3O3 MolecularWeight: 383.48396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)N2CCN(CC2)C34CC5CC(C3)CC(C5)C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)N2CCN(CC2)C34CC5CC(C3)CC(C5)C4)[N+](=O)[O-]

InChI

InChI=1S/C22H29N3O3/c1-15-8-19(2-3-20(15)25(27)28)21(26)23-4-6-24(7-5-23)22-12-16-9-17(13-22)11-18(10-16)14-22/h2-3,8,16-18H,4-7,9-14H2,1H3