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

Systemtic Name: ethyl 4-[4-[3-[1-(cyanomethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]phenyl]phenyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[4-[3-[1-(cyanomethylcarbamoyl)-3-methyl-butyl]phenyl]phenyl]piperazine-1-carboxylate CAS Name: 4-[4-[3-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]phenyl]phenyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[3-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]phenyl]phenyl]piperazine-1-carboxylate Traditional Name: 4-[4-[3-[1-(cyanomethylcarbamoyl)-3-methyl-butyl]phenyl]phenyl]piperazine-1-carboxylic acid ethyl ester Formula: C27H34N4O3 MolecularWeight: 462.58386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H34N4O3/c1-4-34-27(33)31-16-14-30(15-17-31)24-10-8-21(9-11-24)22-6-5-7-23(19-22)25(18-20(2)3)26(32)29-13-12-28/h5-11,19-20,25H,4,13-18H2,1-3H3,(H,29,32)