N-tert-butyl-2-[4-[(4-imidazol-1-ylphenyl)methyl]piperazin-1-yl]ethanamide; ethanedioic acid

Systemtic Name: N-tert-butyl-2-[4-[(4-imidazol-1-ylphenyl)methyl]piperazin-1-yl]ethanamide; ethanedioic acid Openeye Name: N-tert-butyl-2-[4-[(4-imidazol-1-ylphenyl)methyl]piperazin-1-yl]acetamide; oxalic acid CAS Name: N-tert-butyl-2-[4-[[4-(1-imidazolyl)phenyl]methyl]-1-piperazinyl]acetamide; oxalic acid IUPAC Name: N-tert-butyl-2-[4-[(4-imidazol-1-ylphenyl)methyl]piperazin-1-yl]acetamide; oxalic acid Traditional Name: N-tert-butyl-2-[4-(4-imidazol-1-ylbenzyl)piperazino]acetamide; oxalic acid Formula: C22H31N5O5 MolecularWeight: 445.51204

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CN1CCN(CC1)CC2=CC=C(C=C2)N3C=CN=C3.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C)(C)NC(=O)CN1CCN(CC1)CC2=CC=C(C=C2)N3C=CN=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H29N5O.C2H2O4/c1-20(2,3)22-19(26)15-24-12-10-23(11-13-24)14-17-4-6-18(7-5-17)25-9-8-21-16-25;3-1(4)2(5)6/h4-9,16H,10-15H2,1-3H3,(H,22,26);(H,3,4)(H,5,6)