methyl 3-[(4-cyclohexylpiperazin-1-yl)methyl]-2-phenyl-quinoline-4-carboxylate

Systemtic Name: methyl 3-[(4-cyclohexylpiperazin-1-yl)methyl]-2-phenyl-quinoline-4-carboxylate Openeye Name: methyl 3-[(4-cyclohexylpiperazin-1-yl)methyl]-2-phenyl-quinoline-4-carboxylate CAS Name: 3-[(4-cyclohexyl-1-piperazinyl)methyl]-2-phenyl-4-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 3-[(4-cyclohexylpiperazin-1-yl)methyl]-2-phenylquinoline-4-carboxylate Traditional Name: 3-[(4-cyclohexylpiperazino)methyl]-2-phenyl-cinchoninic acid methyl ester Formula: C28H33N3O2 MolecularWeight: 443.58052

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=NC2=CC=CC=C21)C3=CC=CC=C3)CN4CCN(CC4)C5CCCCC5

Isomeric SMILES

COC(=O)C1=C(C(=NC2=CC=CC=C21)C3=CC=CC=C3)CN4CCN(CC4)C5CCCCC5

InChI

InChI=1S/C28H33N3O2/c1-33-28(32)26-23-14-8-9-15-25(23)29-27(21-10-4-2-5-11-21)24(26)20-30-16-18-31(19-17-30)22-12-6-3-7-13-22/h2,4-5,8-11,14-15,22H,3,6-7,12-13,16-20H2,1H3