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

Systemtic Name: ethyl 4-methyl-2-[[4-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]piperazin-1-yl]methyl]quinoline-3-carboxylate Openeye Name: ethyl 2-[[4-[2-(benzylamino)-2-oxo-ethyl]piperazin-1-yl]methyl]-4-methyl-quinoline-3-carboxylate CAS Name: 4-methyl-2-[[4-[2-oxo-2-[(phenylmethyl)amino]ethyl]-1-piperazinyl]methyl]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[4-[2-(benzylamino)-2-oxoethyl]piperazin-1-yl]methyl]-4-methylquinoline-3-carboxylate Traditional Name: 2-[[4-[2-(benzylamino)-2-keto-ethyl]piperazino]methyl]-4-methyl-quinoline-3-carboxylic acid ethyl ester Formula: C27H32N4O3 MolecularWeight: 460.56798

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N=C1CN3CCN(CC3)CC(=O)NCC4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N=C1CN3CCN(CC3)CC(=O)NCC4=CC=CC=C4)C

InChI

InChI=1S/C27H32N4O3/c1-3-34-27(33)26-20(2)22-11-7-8-12-23(22)29-24(26)18-30-13-15-31(16-14-30)19-25(32)28-17-21-9-5-4-6-10-21/h4-12H,3,13-19H2,1-2H3,(H,28,32)