tert-butyl 4-[4-[2-[2-(cyanomethylcarbamoyl)piperidin-1-yl]phenyl]phenyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-[2-[2-(cyanomethylcarbamoyl)piperidin-1-yl]phenyl]phenyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-[2-[2-(cyanomethylcarbamoyl)-1-piperidyl]phenyl]phenyl]piperazine-1-carboxylate CAS Name: 4-[4-[2-[2-[(cyanomethylamino)-oxomethyl]-1-piperidinyl]phenyl]phenyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[2-[2-(cyanomethylcarbamoyl)piperidin-1-yl]phenyl]phenyl]piperazine-1-carboxylate Traditional Name: 4-[4-[2-[2-(cyanomethylcarbamoyl)piperidino]phenyl]phenyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C29H37N5O3 MolecularWeight: 503.63578

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=C(C=C2)C3=CC=CC=C3N4CCCCC4C(=O)NCC#N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=C(C=C2)C3=CC=CC=C3N4CCCCC4C(=O)NCC#N

InChI

InChI=1S/C29H37N5O3/c1-29(2,3)37-28(36)33-20-18-32(19-21-33)23-13-11-22(12-14-23)24-8-4-5-9-25(24)34-17-7-6-10-26(34)27(35)31-16-15-30/h4-5,8-9,11-14,26H,6-7,10,16-21H2,1-3H3,(H,31,35)