tert-butyl 4-[4-[2-[2-(cyanomethylcarbamoyl)-4-methyl-pentyl]phenyl]phenyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-[2-[2-(cyanomethylcarbamoyl)-4-methyl-pentyl]phenyl]phenyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-[2-[2-(cyanomethylcarbamoyl)-4-methyl-pentyl]phenyl]phenyl]piperazine-1-carboxylate CAS Name: 4-[4-[2-[2-[(cyanomethylamino)-oxomethyl]-4-methylpentyl]phenyl]phenyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[2-[2-(cyanomethylcarbamoyl)-4-methylpentyl]phenyl]phenyl]piperazine-1-carboxylate Traditional Name: 4-[4-[2-[2-(cyanomethylcarbamoyl)-4-methyl-pentyl]phenyl]phenyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C30H40N4O3 MolecularWeight: 504.6636

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CC1=CC=CC=C1C2=CC=C(C=C2)N3CCN(CC3)C(=O)OC(C)(C)C)C(=O)NCC#N

Isomeric SMILES

CC(C)CC(CC1=CC=CC=C1C2=CC=C(C=C2)N3CCN(CC3)C(=O)OC(C)(C)C)C(=O)NCC#N

InChI

InChI=1S/C30H40N4O3/c1-22(2)20-25(28(35)32-15-14-31)21-24-8-6-7-9-27(24)23-10-12-26(13-11-23)33-16-18-34(19-17-33)29(36)37-30(3,4)5/h6-13,22,25H,15-21H2,1-5H3,(H,32,35)