(phenylmethyl) N-[(2S)-1-(4-cyclohexylpiperazin-1-yl)-1-oxidanylidene-propan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(2S)-1-(4-cyclohexylpiperazin-1-yl)-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: benzyl N-[(1S)-2-(4-cyclohexylpiperazin-1-yl)-1-methyl-2-oxo-ethyl]carbamate CAS Name: N-[(2S)-1-(4-cyclohexyl-1-piperazinyl)-1-oxopropan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S)-1-(4-cyclohexylpiperazin-1-yl)-1-oxopropan-2-yl]carbamate Traditional Name: N-[(1S)-2-(4-cyclohexylpiperazino)-2-keto-1-methyl-ethyl]carbamic acid benzyl ester Formula: C21H31N3O3 MolecularWeight: 373.48914

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C2CCCCC2)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)N1CCN(CC1)C2CCCCC2)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H31N3O3/c1-17(22-21(26)27-16-18-8-4-2-5-9-18)20(25)24-14-12-23(13-15-24)19-10-6-3-7-11-19/h2,4-5,8-9,17,19H,3,6-7,10-16H2,1H3,(H,22,26)/t17-/m0/s1