tert-butyl 4-[4-[(propan-2-ylcarbamoylamino)methyl]phenyl]carbonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-[(propan-2-ylcarbamoylamino)methyl]phenyl]carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-[(isopropylcarbamoylamino)methyl]benzoyl]piperazine-1-carboxylate CAS Name: 4-[oxo-[4-[[[oxo-(propan-2-ylamino)methyl]amino]methyl]phenyl]methyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[(propan-2-ylcarbamoylamino)methyl]benzoyl]piperazine-1-carboxylate Traditional Name: 4-[4-[(isopropylcarbamoylamino)methyl]benzoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C21H32N4O4 MolecularWeight: 404.50318

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)NC(=O)NCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)OC(C)(C)C

InChI

InChI=1S/C21H32N4O4/c1-15(2)23-19(27)22-14-16-6-8-17(9-7-16)18(26)24-10-12-25(13-11-24)20(28)29-21(3,4)5/h6-9,15H,10-14H2,1-5H3,(H2,22,23,27)