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

Systemtic Name: ethyl 6-ethyl-4-[4-(phenylmethyl)piperazin-1-yl]quinoline-3-carboxylate Openeye Name: ethyl 4-(4-benzylpiperazin-1-yl)-6-ethyl-quinoline-3-carboxylate CAS Name: 6-ethyl-4-[4-(phenylmethyl)-1-piperazinyl]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-benzylpiperazin-1-yl)-6-ethylquinoline-3-carboxylate Traditional Name: 4-(4-benzylpiperazino)-6-ethyl-quinoline-3-carboxylic acid ethyl ester Formula: C25H29N3O2 MolecularWeight: 403.51666

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C(=CN=C2C=C1)C(=O)OCC)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCC1=CC2=C(C(=CN=C2C=C1)C(=O)OCC)N3CCN(CC3)CC4=CC=CC=C4

InChI

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