diethyl 4-[4-(phenylmethyl)piperazin-1-yl]quinoline-3,6-dicarboxylate

Systemtic Name: diethyl 4-[4-(phenylmethyl)piperazin-1-yl]quinoline-3,6-dicarboxylate Openeye Name: diethyl 4-(4-benzylpiperazin-1-yl)quinoline-3,6-dicarboxylate CAS Name: 4-[4-(phenylmethyl)-1-piperazinyl]quinoline-3,6-dicarboxylic acid diethyl ester IUPAC Name: diethyl 4-(4-benzylpiperazin-1-yl)quinoline-3,6-dicarboxylate Traditional Name: 4-(4-benzylpiperazino)quinoline-3,6-dicarboxylic acid diethyl ester Formula: C26H29N3O4 MolecularWeight: 447.52616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H29N3O4/c1-3-32-25(30)20-10-11-23-21(16-20)24(22(17-27-23)26(31)33-4-2)29-14-12-28(13-15-29)18-19-8-6-5-7-9-19/h5-11,16-17H,3-4,12-15,18H2,1-2H3