2-[(4-chloranyl-2-methoxy-5-methyl-phenyl)amino]-1-(4-ethylpiperazin-1-yl)propan-1-one; ethanedioic acid

Systemtic Name: 2-[(4-chloranyl-2-methoxy-5-methyl-phenyl)amino]-1-(4-ethylpiperazin-1-yl)propan-1-one; ethanedioic acid Openeye Name: 2-(4-chloro-2-methoxy-5-methyl-anilino)-1-(4-ethylpiperazin-1-yl)propan-1-one; oxalic acid CAS Name: 2-(4-chloro-2-methoxy-5-methylanilino)-1-(4-ethyl-1-piperazinyl)-1-propanone; oxalic acid IUPAC Name: 2-(4-chloro-2-methoxy-5-methylanilino)-1-(4-ethylpiperazin-1-yl)propan-1-one; oxalic acid Traditional Name: 2-(4-chloro-2-methoxy-5-methyl-anilino)-1-(4-ethylpiperazino)propan-1-one; oxalic acid Formula: C19H28ClN3O6 MolecularWeight: 429.89512

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=O)C(C)NC2=C(C=C(C(=C2)C)Cl)OC.C(=O)(C(=O)O)O

Isomeric SMILES

CCN1CCN(CC1)C(=O)C(C)NC2=C(C=C(C(=C2)C)Cl)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H26ClN3O2.C2H2O4/c1-5-20-6-8-21(9-7-20)17(22)13(3)19-15-10-12(2)14(18)11-16(15)23-4;3-1(4)2(5)6/h10-11,13,19H,5-9H2,1-4H3;(H,3,4)(H,5,6)