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

Systemtic Name: [4-(1-adamantylcarbonyl)piperazin-1-yl]-(4-methyl-3-nitro-phenyl)methanone Openeye Name: [4-(adamantane-1-carbonyl)piperazin-1-yl]-(4-methyl-3-nitro-phenyl)methanone CAS Name: [4-[1-adamantyl(oxo)methyl]-1-piperazinyl]-(4-methyl-3-nitrophenyl)methanone IUPAC Name: [4-(adamantane-1-carbonyl)piperazin-1-yl]-(4-methyl-3-nitrophenyl)methanone Traditional Name: [4-(adamantane-1-carbonyl)piperazino]-(4-methyl-3-nitro-phenyl)methanone Formula: C23H29N3O4 MolecularWeight: 411.49406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O4/c1-15-2-3-19(11-20(15)26(29)30)21(27)24-4-6-25(7-5-24)22(28)23-12-16-8-17(13-23)10-18(9-16)14-23/h2-3,11,16-18H,4-10,12-14H2,1H3