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

Systemtic Name: ethyl 4-[4-(phenylmethyl)piperazin-1-yl]benzo[h]quinoline-3-carboxylate Openeye Name: ethyl 4-(4-benzylpiperazin-1-yl)benzo[h]quinoline-3-carboxylate CAS Name: 4-[4-(phenylmethyl)-1-piperazinyl]-3-benzo[h]quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-benzylpiperazin-1-yl)benzo[h]quinoline-3-carboxylate Traditional Name: 4-(4-benzylpiperazino)benzo[h]quinoline-3-carboxylic acid ethyl ester Formula: C27H27N3O2 MolecularWeight: 425.52218

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C2C(=C1N3CCN(CC3)CC4=CC=CC=C4)C=CC5=CC=CC=C52

Isomeric SMILES

CCOC(=O)C1=CN=C2C(=C1N3CCN(CC3)CC4=CC=CC=C4)C=CC5=CC=CC=C52

InChI

InChI=1S/C27H27N3O2/c1-2-32-27(31)24-18-28-25-22-11-7-6-10-21(22)12-13-23(25)26(24)30-16-14-29(15-17-30)19-20-8-4-3-5-9-20/h3-13,18H,2,14-17,19H2,1H3