N-[2-[[6-[4-(1-adamantylcarbonyl)piperazin-1-yl]-2-phenyl-pyrimidin-4-yl]amino]ethyl]ethanamide

Systemtic Name: N-[2-[[6-[4-(1-adamantylcarbonyl)piperazin-1-yl]-2-phenyl-pyrimidin-4-yl]amino]ethyl]ethanamide Openeye Name: N-[2-[[6-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-phenyl-pyrimidin-4-yl]amino]ethyl]acetamide CAS Name: N-[2-[[6-[4-[1-adamantyl(oxo)methyl]-1-piperazinyl]-2-phenyl-4-pyrimidinyl]amino]ethyl]acetamide IUPAC Name: N-[2-[[6-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-phenylpyrimidin-4-yl]amino]ethyl]acetamide Traditional Name: N-[2-[[6-[4-(adamantane-1-carbonyl)piperazino]-2-phenyl-pyrimidin-4-yl]amino]ethyl]acetamide Formula: C29H38N6O2 MolecularWeight: 502.65102

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCNC1=NC(=NC(=C1)N2CCN(CC2)C(=O)C34CC5CC(C3)CC(C5)C4)C6=CC=CC=C6

Isomeric SMILES

CC(=O)NCCNC1=NC(=NC(=C1)N2CCN(CC2)C(=O)C34CC5CC(C3)CC(C5)C4)C6=CC=CC=C6

InChI

InChI=1S/C29H38N6O2/c1-20(36)30-7-8-31-25-16-26(33-27(32-25)24-5-3-2-4-6-24)34-9-11-35(12-10-34)28(37)29-17-21-13-22(18-29)15-23(14-21)19-29/h2-6,16,21-23H,7-15,17-19H2,1H3,(H,30,36)(H,31,32,33)