ethyl 6,8-dimethyl-4-[4-(phenylmethyl)piperazin-1-yl]quinoline-3-carboxylate

Systemtic Name: ethyl 6,8-dimethyl-4-[4-(phenylmethyl)piperazin-1-yl]quinoline-3-carboxylate Openeye Name: ethyl 4-(4-benzylpiperazin-1-yl)-6,8-dimethyl-quinoline-3-carboxylate CAS Name: 6,8-dimethyl-4-[4-(phenylmethyl)-1-piperazinyl]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-benzylpiperazin-1-yl)-6,8-dimethylquinoline-3-carboxylate Traditional Name: 4-(4-benzylpiperazino)-6,8-dimethyl-quinoline-3-carboxylic acid ethyl ester Formula: C25H29N3O2 MolecularWeight: 403.51666

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC(=CC(=C2N=C1)C)C)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(C2=CC(=CC(=C2N=C1)C)C)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H29N3O2/c1-4-30-25(29)22-16-26-23-19(3)14-18(2)15-21(23)24(22)28-12-10-27(11-13-28)17-20-8-6-5-7-9-20/h5-9,14-16H,4,10-13,17H2,1-3H3