ethyl 1-methyl-2-oxidanylidene-4-(4-pyrrolidin-2-ylcarbonylpiperazin-1-yl)quinoline-3-carboxylate

Systemtic Name: ethyl 1-methyl-2-oxidanylidene-4-(4-pyrrolidin-2-ylcarbonylpiperazin-1-yl)quinoline-3-carboxylate Openeye Name: ethyl 1-methyl-2-oxo-4-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]quinoline-3-carboxylate CAS Name: 1-methyl-2-oxo-4-[4-[oxo(2-pyrrolidinyl)methyl]-1-piperazinyl]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-methyl-2-oxo-4-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]quinoline-3-carboxylate Traditional Name: 2-keto-1-methyl-4-(4-prolylpiperazino)quinoline-3-carboxylic acid ethyl ester Formula: C22H28N4O4 MolecularWeight: 412.48212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N(C1=O)C)N3CCN(CC3)C(=O)C4CCCN4

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N(C1=O)C)N3CCN(CC3)C(=O)C4CCCN4

InChI

InChI=1S/C22H28N4O4/c1-3-30-22(29)18-19(15-7-4-5-9-17(15)24(2)21(18)28)25-11-13-26(14-12-25)20(27)16-8-6-10-23-16/h4-5,7,9,16,23H,3,6,8,10-14H2,1-2H3