methyl 4-methyl-2-[(3-oxidanylidenepiperazin-1-yl)methyl]quinoline-3-carboxylate

Systemtic Name: methyl 4-methyl-2-[(3-oxidanylidenepiperazin-1-yl)methyl]quinoline-3-carboxylate Openeye Name: methyl 4-methyl-2-[(3-oxopiperazin-1-yl)methyl]quinoline-3-carboxylate CAS Name: 4-methyl-2-[(3-oxo-1-piperazinyl)methyl]-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 4-methyl-2-[(3-oxopiperazin-1-yl)methyl]quinoline-3-carboxylate Traditional Name: 2-[(3-ketopiperazino)methyl]-4-methyl-quinoline-3-carboxylic acid methyl ester Formula: C17H19N3O3 MolecularWeight: 313.35106

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)CN3CCNC(=O)C3)C(=O)OC

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)CN3CCNC(=O)C3)C(=O)OC

InChI

InChI=1S/C17H19N3O3/c1-11-12-5-3-4-6-13(12)19-14(16(11)17(22)23-2)9-20-8-7-18-15(21)10-20/h3-6H,7-10H2,1-2H3,(H,18,21)