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

Systemtic Name: ethyl 4-[3-[(cycloheptylamino)methyl]-6-methyl-quinolin-2-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[3-[(cycloheptylamino)methyl]-6-methyl-2-quinolyl]piperazine-1-carboxylate CAS Name: 4-[3-[(cycloheptylamino)methyl]-6-methyl-2-quinolinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-[(cycloheptylamino)methyl]-6-methylquinolin-2-yl]piperazine-1-carboxylate Traditional Name: 4-[3-[(cycloheptylamino)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)CNC4CCCCCC4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=C(C=C3C=C(C=CC3=N2)C)CNC4CCCCCC4

InChI

InChI=1S/C25H36N4O2/c1-3-31-25(30)29-14-12-28(13-15-29)24-21(18-26-22-8-6-4-5-7-9-22)17-20-16-19(2)10-11-23(20)27-24/h10-11,16-17,22,26H,3-9,12-15,18H2,1-2H3