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

Systemtic Name: ethyl 8-bromanyl-4-[4-(phenylmethyl)piperazin-1-yl]quinoline-3-carboxylate Openeye Name: ethyl 4-(4-benzylpiperazin-1-yl)-8-bromo-quinoline-3-carboxylate CAS Name: 8-bromo-4-[4-(phenylmethyl)-1-piperazinyl]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-benzylpiperazin-1-yl)-8-bromoquinoline-3-carboxylate Traditional Name: 4-(4-benzylpiperazino)-8-bromo-quinoline-3-carboxylic acid ethyl ester Formula: C23H24BrN3O2 MolecularWeight: 454.35956

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C2C(=C1N3CCN(CC3)CC4=CC=CC=C4)C=CC=C2Br

Isomeric SMILES

CCOC(=O)C1=CN=C2C(=C1N3CCN(CC3)CC4=CC=CC=C4)C=CC=C2Br

InChI

InChI=1S/C23H24BrN3O2/c1-2-29-23(28)19-15-25-21-18(9-6-10-20(21)24)22(19)27-13-11-26(12-14-27)16-17-7-4-3-5-8-17/h3-10,15H,2,11-14,16H2,1H3