tert-butyl 4-[4-[2-[1-(cyanomethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]phenyl]phenyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-[2-[1-(cyanomethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]phenyl]phenyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-[2-[1-(cyanomethylcarbamoyl)-3-methyl-butyl]phenyl]phenyl]piperazine-1-carboxylate CAS Name: 4-[4-[2-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]phenyl]phenyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[2-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]phenyl]phenyl]piperazine-1-carboxylate Traditional Name: 4-[4-[2-[1-(cyanomethylcarbamoyl)-3-methyl-butyl]phenyl]phenyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C29H38N4O3 MolecularWeight: 490.63702

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=CC=CC=C1C2=CC=C(C=C2)N3CCN(CC3)C(=O)OC(C)(C)C)C(=O)NCC#N

Isomeric SMILES

CC(C)CC(C1=CC=CC=C1C2=CC=C(C=C2)N3CCN(CC3)C(=O)OC(C)(C)C)C(=O)NCC#N

InChI

InChI=1S/C29H38N4O3/c1-21(2)20-26(27(34)31-15-14-30)25-9-7-6-8-24(25)22-10-12-23(13-11-22)32-16-18-33(19-17-32)28(35)36-29(3,4)5/h6-13,21,26H,15-20H2,1-5H3,(H,31,34)