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

Systemtic Name: ethyl 4-[3-[(cyclohexylmethylamino)methyl]-6-methyl-quinolin-2-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[3-[(cyclohexylmethylamino)methyl]-6-methyl-2-quinolyl]piperazine-1-carboxylate CAS Name: 4-[3-[(cyclohexylmethylamino)methyl]-6-methyl-2-quinolinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-[(cyclohexylmethylamino)methyl]-6-methylquinolin-2-yl]piperazine-1-carboxylate Traditional Name: 4-[3-[(cyclohexylmethylamino)methyl]-6-methyl-2-quinolyl]piperazine-1-carboxylic acid ethyl ester Formula: C25H36N4O2 MolecularWeight: 424.57894

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=C(C=C3C=C(C=CC3=N2)C)CNCC4CCCCC4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=C(C=C3C=C(C=CC3=N2)C)CNCC4CCCCC4

InChI

InChI=1S/C25H36N4O2/c1-3-31-25(30)29-13-11-28(12-14-29)24-22(18-26-17-20-7-5-4-6-8-20)16-21-15-19(2)9-10-23(21)27-24/h9-10,15-16,20,26H,3-8,11-14,17-18H2,1-2H3