4-[3-[3-[1-(cyanomethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]phenyl]phenyl]piperazine-1-carboxylic acid

Systemtic Name: 4-[3-[3-[1-(cyanomethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]phenyl]phenyl]piperazine-1-carboxylic acid Openeye Name: 4-[3-[3-[1-(cyanomethylcarbamoyl)-3-methyl-butyl]phenyl]phenyl]piperazine-1-carboxylic acid CAS Name: 4-[3-[3-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]phenyl]phenyl]-1-piperazinecarboxylic acid IUPAC Name: 4-[3-[3-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]phenyl]phenyl]piperazine-1-carboxylic acid Traditional Name: 4-[3-[3-[1-(cyanomethylcarbamoyl)-3-methyl-butyl]phenyl]phenyl]piperazine-1-carboxylic acid Formula: C25H30N4O3 MolecularWeight: 434.5307

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N4O3/c1-18(2)15-23(24(30)27-10-9-26)21-7-3-5-19(16-21)20-6-4-8-22(17-20)28-11-13-29(14-12-28)25(31)32/h3-8,16-18,23H,10-15H2,1-2H3,(H,27,30)(H,31,32)