[4-(1-adamantylcarbonyl)piperazin-1-yl]-(2,4,5-trimethoxyphenyl)methanone

Systemtic Name: [4-(1-adamantylcarbonyl)piperazin-1-yl]-(2,4,5-trimethoxyphenyl)methanone Openeye Name: [4-(adamantane-1-carbonyl)piperazin-1-yl]-(2,4,5-trimethoxyphenyl)methanone CAS Name: [4-[1-adamantyl(oxo)methyl]-1-piperazinyl]-(2,4,5-trimethoxyphenyl)methanone IUPAC Name: [4-(adamantane-1-carbonyl)piperazin-1-yl]-(2,4,5-trimethoxyphenyl)methanone Traditional Name: [4-(adamantane-1-carbonyl)piperazino]-asaryl-methanone Formula: C25H34N2O5 MolecularWeight: 442.54786

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)N2CCN(CC2)C(=O)C34CC5CC(C3)CC(C5)C4)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)N2CCN(CC2)C(=O)C34CC5CC(C3)CC(C5)C4)OC)OC

InChI

InChI=1S/C25H34N2O5/c1-30-20-12-22(32-3)21(31-2)11-19(20)23(28)26-4-6-27(7-5-26)24(29)25-13-16-8-17(14-25)10-18(9-16)15-25/h11-12,16-18H,4-10,13-15H2,1-3H3