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

Systemtic Name: ethanedioic acid; (4-phenylphenyl)-(4-propan-2-ylpiperazin-1-yl)methanone Openeye Name: (4-isopropylpiperazin-1-yl)-(4-phenylphenyl)methanone; oxalic acid CAS Name: oxalic acid; (4-phenylphenyl)-(4-propan-2-yl-1-piperazinyl)methanone IUPAC Name: oxalic acid; (4-phenylphenyl)-(4-propan-2-ylpiperazin-1-yl)methanone Traditional Name: (4-isopropylpiperazino)-(4-phenylphenyl)methanone; oxalic acid Formula: C22H26N2O5 MolecularWeight: 398.45224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O.C2H2O4/c1-16(2)21-12-14-22(15-13-21)20(23)19-10-8-18(9-11-19)17-6-4-3-5-7-17;3-1(4)2(5)6/h3-11,16H,12-15H2,1-2H3;(H,3,4)(H,5,6)