1-adamantyl-[4-[[2-[(phenylmethyl)amino]pyridin-3-yl]methyl]piperazin-1-yl]methanone

Systemtic Name: 1-adamantyl-[4-[[2-[(phenylmethyl)amino]pyridin-3-yl]methyl]piperazin-1-yl]methanone Openeye Name: 1-adamantyl-[4-[[2-(benzylamino)-3-pyridyl]methyl]piperazin-1-yl]methanone CAS Name: 1-adamantyl-[4-[[2-[(phenylmethyl)amino]-3-pyridinyl]methyl]-1-piperazinyl]methanone IUPAC Name: 1-adamantyl-[4-[[2-(benzylamino)pyridin-3-yl]methyl]piperazin-1-yl]methanone Traditional Name: 1-adamantyl-[4-[[2-(benzylamino)-3-pyridyl]methyl]piperazino]methanone Formula: C28H36N4O MolecularWeight: 444.61164

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=C(N=CC=C2)NCC3=CC=CC=C3)C(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1CN(CCN1CC2=C(N=CC=C2)NCC3=CC=CC=C3)C(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C28H36N4O/c33-27(28-16-22-13-23(17-28)15-24(14-22)18-28)32-11-9-31(10-12-32)20-25-7-4-8-29-26(25)30-19-21-5-2-1-3-6-21/h1-8,22-24H,9-20H2,(H,29,30)