ethyl 4-[4-(phenylmethyl)piperazin-1-yl]-8-propan-2-yl-quinoline-3-carboxylate

Systemtic Name: ethyl 4-[4-(phenylmethyl)piperazin-1-yl]-8-propan-2-yl-quinoline-3-carboxylate Openeye Name: ethyl 4-(4-benzylpiperazin-1-yl)-8-isopropyl-quinoline-3-carboxylate CAS Name: 4-[4-(phenylmethyl)-1-piperazinyl]-8-propan-2-yl-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-benzylpiperazin-1-yl)-8-propan-2-ylquinoline-3-carboxylate Traditional Name: 4-(4-benzylpiperazino)-8-isopropyl-quinoline-3-carboxylic acid ethyl ester Formula: C26H31N3O2 MolecularWeight: 417.54324

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C2C(=C1N3CCN(CC3)CC4=CC=CC=C4)C=CC=C2C(C)C

Isomeric SMILES

CCOC(=O)C1=CN=C2C(=C1N3CCN(CC3)CC4=CC=CC=C4)C=CC=C2C(C)C

InChI

InChI=1S/C26H31N3O2/c1-4-31-26(30)23-17-27-24-21(19(2)3)11-8-12-22(24)25(23)29-15-13-28(14-16-29)18-20-9-6-5-7-10-20/h5-12,17,19H,4,13-16,18H2,1-3H3