tert-butyl 2-[[5-(4-phenylpiperazin-1-yl)carbonyl-1H-imidazol-4-yl]carbonylamino]ethanoate

Systemtic Name: tert-butyl 2-[[5-(4-phenylpiperazin-1-yl)carbonyl-1H-imidazol-4-yl]carbonylamino]ethanoate Openeye Name: tert-butyl 2-[[5-(4-phenylpiperazine-1-carbonyl)-1H-imidazole-4-carbonyl]amino]acetate CAS Name: 2-[[oxo-[5-[oxo-(4-phenyl-1-piperazinyl)methyl]-1H-imidazol-4-yl]methyl]amino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[5-(4-phenylpiperazine-1-carbonyl)-1H-imidazole-4-carbonyl]amino]acetate Traditional Name: 2-[[5-(4-phenylpiperazine-1-carbonyl)-1H-imidazole-4-carbonyl]amino]acetic acid tert-butyl ester Formula: C21H27N5O4 MolecularWeight: 413.47018

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CNC(=O)C1=C(NC=N1)C(=O)N2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)CNC(=O)C1=C(NC=N1)C(=O)N2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C21H27N5O4/c1-21(2,3)30-16(27)13-22-19(28)17-18(24-14-23-17)20(29)26-11-9-25(10-12-26)15-7-5-4-6-8-15/h4-8,14H,9-13H2,1-3H3,(H,22,28)(H,23,24)