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

Systemtic Name: ethyl 4-methyl-2-[[4-(phenylmethyl)piperazin-1-yl]methyl]quinoline-3-carboxylate Openeye Name: ethyl 2-[(4-benzylpiperazin-1-yl)methyl]-4-methyl-quinoline-3-carboxylate CAS Name: 4-methyl-2-[[4-(phenylmethyl)-1-piperazinyl]methyl]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-benzylpiperazin-1-yl)methyl]-4-methylquinoline-3-carboxylate Traditional Name: 2-[(4-benzylpiperazino)methyl]-4-methyl-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=C1CN3CCN(CC3)CC4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N=C1CN3CCN(CC3)CC4=CC=CC=C4)C

InChI

InChI=1S/C25H29N3O2/c1-3-30-25(29)24-19(2)21-11-7-8-12-22(21)26-23(24)18-28-15-13-27(14-16-28)17-20-9-5-4-6-10-20/h4-12H,3,13-18H2,1-2H3