ethyl 4-[4-(phenylmethyl)piperazin-1-yl]-6-propan-2-yl-quinoline-3-carboxylate

Systemtic Name: ethyl 4-[4-(phenylmethyl)piperazin-1-yl]-6-propan-2-yl-quinoline-3-carboxylate Openeye Name: ethyl 4-(4-benzylpiperazin-1-yl)-6-isopropyl-quinoline-3-carboxylate CAS Name: 4-[4-(phenylmethyl)-1-piperazinyl]-6-propan-2-yl-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-benzylpiperazin-1-yl)-6-propan-2-ylquinoline-3-carboxylate Traditional Name: 4-(4-benzylpiperazino)-6-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=CC(=CC2=C1N3CCN(CC3)CC4=CC=CC=C4)C(C)C

Isomeric SMILES

CCOC(=O)C1=CN=C2C=CC(=CC2=C1N3CCN(CC3)CC4=CC=CC=C4)C(C)C

InChI

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