ethyl 6-ethoxy-4-[4-(phenylmethyl)piperazin-1-yl]quinoline-3-carboxylate

Systemtic Name: ethyl 6-ethoxy-4-[4-(phenylmethyl)piperazin-1-yl]quinoline-3-carboxylate Openeye Name: ethyl 4-(4-benzylpiperazin-1-yl)-6-ethoxy-quinoline-3-carboxylate CAS Name: 6-ethoxy-4-[4-(phenylmethyl)-1-piperazinyl]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-benzylpiperazin-1-yl)-6-ethoxyquinoline-3-carboxylate Traditional Name: 4-(4-benzylpiperazino)-6-ethoxy-quinoline-3-carboxylic acid ethyl ester Formula: C25H29N3O3 MolecularWeight: 419.51606

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C(=CN=C2C=C1)C(=O)OCC)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCOC1=CC2=C(C(=CN=C2C=C1)C(=O)OCC)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H29N3O3/c1-3-30-20-10-11-23-21(16-20)24(22(17-26-23)25(29)31-4-2)28-14-12-27(13-15-28)18-19-8-6-5-7-9-19/h5-11,16-17H,3-4,12-15,18H2,1-2H3