ethyl 4-[3-[(1-adamantylamino)methyl]-6-methyl-quinolin-2-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[3-[(1-adamantylamino)methyl]-6-methyl-quinolin-2-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[3-[(1-adamantylamino)methyl]-6-methyl-2-quinolyl]piperazine-1-carboxylate CAS Name: 4-[3-[(1-adamantylamino)methyl]-6-methyl-2-quinolinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-[(1-adamantylamino)methyl]-6-methylquinolin-2-yl]piperazine-1-carboxylate Traditional Name: 4-[3-[(1-adamantylamino)methyl]-6-methyl-2-quinolyl]piperazine-1-carboxylic acid ethyl ester Formula: C28H38N4O2 MolecularWeight: 462.62692

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=C(C=C3C=C(C=CC3=N2)C)CNC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=C(C=C3C=C(C=CC3=N2)C)CNC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C28H38N4O2/c1-3-34-27(33)32-8-6-31(7-9-32)26-24(14-23-10-19(2)4-5-25(23)30-26)18-29-28-15-20-11-21(16-28)13-22(12-20)17-28/h4-5,10,14,20-22,29H,3,6-9,11-13,15-18H2,1-2H3