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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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