1-chloroethyl 3-(cyanomethyl)-4-(phenylmethyl)piperazine-1-carboxylate

Systemtic Name: 1-chloroethyl 3-(cyanomethyl)-4-(phenylmethyl)piperazine-1-carboxylate Openeye Name: 1-chloroethyl 4-benzyl-3-(cyanomethyl)piperazine-1-carboxylate CAS Name: 3-(cyanomethyl)-4-(phenylmethyl)-1-piperazinecarboxylic acid 1-chloroethyl ester IUPAC Name: 1-chloroethyl 4-benzyl-3-(cyanomethyl)piperazine-1-carboxylate Traditional Name: 4-benzyl-3-(cyanomethyl)piperazine-1-carboxylic acid 1-chloroethyl ester Formula: C16H20ClN3O2 MolecularWeight: 321.8019

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Descriptors Computed from Structure

Canonical SMILES:

CC(OC(=O)N1CCN(C(C1)CC#N)CC2=CC=CC=C2)Cl

Isomeric SMILES

CC(OC(=O)N1CCN(C(C1)CC#N)CC2=CC=CC=C2)Cl

InChI

InChI=1S/C16H20ClN3O2/c1-13(17)22-16(21)20-10-9-19(15(12-20)7-8-18)11-14-5-3-2-4-6-14/h2-6,13,15H,7,9-12H2,1H3