4-[[4-[1-(1-adamantylcarbonyl)pyrrolidin-2-yl]carbonylpiperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[1-(1-adamantylcarbonyl)pyrrolidin-2-yl]carbonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[1-(adamantane-1-carbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[[1-[1-adamantyl(oxo)methyl]-2-pyrrolidinyl]-oxomethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[1-(adamantane-1-carbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[1-(adamantane-1-carbonyl)prolyl]piperazino]methyl]benzonitrile Formula: C28H36N4O2 MolecularWeight: 460.61104

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C23CC4CC(C2)CC(C4)C3)C(=O)N5CCN(CC5)CC6=CC=C(C=C6)C#N

Isomeric SMILES

C1CC(N(C1)C(=O)C23CC4CC(C2)CC(C4)C3)C(=O)N5CCN(CC5)CC6=CC=C(C=C6)C#N

InChI

InChI=1S/C28H36N4O2/c29-18-20-3-5-21(6-4-20)19-30-8-10-31(11-9-30)26(33)25-2-1-7-32(25)27(34)28-15-22-12-23(16-28)14-24(13-22)17-28/h3-6,22-25H,1-2,7-17,19H2