(4-butan-2-ylpiperazin-1-yl)-(4-phenylphenyl)methanone; ethanedioic acid

Systemtic Name: (4-butan-2-ylpiperazin-1-yl)-(4-phenylphenyl)methanone; ethanedioic acid Openeye Name: oxalic acid; (4-phenylphenyl)-(4-sec-butylpiperazin-1-yl)methanone CAS Name: (4-butan-2-yl-1-piperazinyl)-(4-phenylphenyl)methanone; oxalic acid IUPAC Name: (4-butan-2-ylpiperazin-1-yl)-(4-phenylphenyl)methanone; oxalic acid Traditional Name: oxalic acid; (4-phenylphenyl)-(4-sec-butylpiperazino)methanone Formula: C23H28N2O5 MolecularWeight: 412.47882

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1CCN(CC1)C(=O)C2=CC=C(C=C2)C3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

CCC(C)N1CCN(CC1)C(=O)C2=CC=C(C=C2)C3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H26N2O.C2H2O4/c1-3-17(2)22-13-15-23(16-14-22)21(24)20-11-9-19(10-12-20)18-7-5-4-6-8-18;3-1(4)2(5)6/h4-12,17H,3,13-16H2,1-2H3;(H,3,4)(H,5,6)