ethyl 6-(dimethylamino)-4-oxidanylidene-3-[[4-(phenylmethyl)piperazin-1-yl]methyl]-1H-quinoline-2-carboxylate

Systemtic Name: ethyl 6-(dimethylamino)-4-oxidanylidene-3-[[4-(phenylmethyl)piperazin-1-yl]methyl]-1H-quinoline-2-carboxylate Openeye Name: ethyl 3-[(4-benzylpiperazin-1-yl)methyl]-6-(dimethylamino)-4-oxo-1H-quinoline-2-carboxylate CAS Name: 6-(dimethylamino)-4-oxo-3-[[4-(phenylmethyl)-1-piperazinyl]methyl]-1H-quinoline-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[(4-benzylpiperazin-1-yl)methyl]-6-(dimethylamino)-4-oxo-1H-quinoline-2-carboxylate Traditional Name: 3-[(4-benzylpiperazino)methyl]-6-(dimethylamino)-4-keto-1H-quinoline-2-carboxylic acid ethyl ester Formula: C26H32N4O3 MolecularWeight: 448.55728

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=O)C2=C(N1)C=CC(=C2)N(C)C)CN3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(C(=O)C2=C(N1)C=CC(=C2)N(C)C)CN3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C26H32N4O3/c1-4-33-26(32)24-22(25(31)21-16-20(28(2)3)10-11-23(21)27-24)18-30-14-12-29(13-15-30)17-19-8-6-5-7-9-19/h5-11,16H,4,12-15,17-18H2,1-3H3,(H,27,31)