[1-(1-adamantylcarbonyl)pyrrolidin-2-yl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone

Systemtic Name: [1-(1-adamantylcarbonyl)pyrrolidin-2-yl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone Openeye Name: [1-(adamantane-1-carbonyl)pyrrolidin-2-yl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone CAS Name: [1-[1-adamantyl(oxo)methyl]-2-pyrrolidinyl]-[4-(2,3-dimethylphenyl)-1-piperazinyl]methanone IUPAC Name: [1-(adamantane-1-carbonyl)pyrrolidin-2-yl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone Traditional Name: [1-(adamantane-1-carbonyl)pyrrolidin-2-yl]-[4-(2,3-dimethylphenyl)piperazino]methanone Formula: C28H39N3O2 MolecularWeight: 449.62816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3CCCN3C(=O)C45CC6CC(C4)CC(C6)C5)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3CCCN3C(=O)C45CC6CC(C4)CC(C6)C5)C

InChI

InChI=1S/C28H39N3O2/c1-19-5-3-6-24(20(19)2)29-9-11-30(12-10-29)26(32)25-7-4-8-31(25)27(33)28-16-21-13-22(17-28)15-23(14-21)18-28/h3,5-6,21-23,25H,4,7-18H2,1-2H3