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

Systemtic Name: methyl 2-[(4-cyclopropylcarbonylpiperazin-1-yl)methyl]-4-phenyl-quinoline-3-carboxylate Openeye Name: methyl 2-[[4-(cyclopropanecarbonyl)piperazin-1-yl]methyl]-4-phenyl-quinoline-3-carboxylate CAS Name: 2-[[4-[cyclopropyl(oxo)methyl]-1-piperazinyl]methyl]-4-phenyl-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-(cyclopropanecarbonyl)piperazin-1-yl]methyl]-4-phenylquinoline-3-carboxylate Traditional Name: 2-[[4-(cyclopropanecarbonyl)piperazino]methyl]-4-phenyl-quinoline-3-carboxylic acid methyl ester Formula: C26H27N3O3 MolecularWeight: 429.51088

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=CC=CC=C2N=C1CN3CCN(CC3)C(=O)C4CC4)C5=CC=CC=C5

Isomeric SMILES

COC(=O)C1=C(C2=CC=CC=C2N=C1CN3CCN(CC3)C(=O)C4CC4)C5=CC=CC=C5

InChI

InChI=1S/C26H27N3O3/c1-32-26(31)24-22(17-28-13-15-29(16-14-28)25(30)19-11-12-19)27-21-10-6-5-9-20(21)23(24)18-7-3-2-4-8-18/h2-10,19H,11-17H2,1H3