ethyl 8-ethyl-4-[4-(phenylmethyl)piperazin-1-yl]quinoline-3-carboxylate

Systemtic Name: ethyl 8-ethyl-4-[4-(phenylmethyl)piperazin-1-yl]quinoline-3-carboxylate Openeye Name: ethyl 4-(4-benzylpiperazin-1-yl)-8-ethyl-quinoline-3-carboxylate CAS Name: 8-ethyl-4-[4-(phenylmethyl)-1-piperazinyl]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-benzylpiperazin-1-yl)-8-ethylquinoline-3-carboxylate Traditional Name: 4-(4-benzylpiperazino)-8-ethyl-quinoline-3-carboxylic acid ethyl ester Formula: C25H29N3O2 MolecularWeight: 403.51666

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC2=C(C(=CN=C21)C(=O)OCC)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCC1=CC=CC2=C(C(=CN=C21)C(=O)OCC)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H29N3O2/c1-3-20-11-8-12-21-23(20)26-17-22(25(29)30-4-2)24(21)28-15-13-27(14-16-28)18-19-9-6-5-7-10-19/h5-12,17H,3-4,13-16,18H2,1-2H3