tert-butyl 4-(acetamido-cyano-phenyl-methyl)piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-(acetamido-cyano-phenyl-methyl)piperazine-1-carboxylate Openeye Name: tert-butyl 4-(acetamido-cyano-phenyl-methyl)piperazine-1-carboxylate CAS Name: 4-(acetamido-cyano-phenylmethyl)-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(acetamido-cyano-phenylmethyl)piperazine-1-carboxylate Traditional Name: 4-(acetamido-cyano-phenyl-methyl)piperazine-1-carboxylic acid tert-butyl ester Formula: C19H26N4O3 MolecularWeight: 358.43474

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(C#N)(C1=CC=CC=C1)N2CCN(CC2)C(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)NC(C#N)(C1=CC=CC=C1)N2CCN(CC2)C(=O)OC(C)(C)C

InChI

InChI=1S/C19H26N4O3/c1-15(24)21-19(14-20,16-8-6-5-7-9-16)23-12-10-22(11-13-23)17(25)26-18(2,3)4/h5-9H,10-13H2,1-4H3,(H,21,24)