(phenylmethyl) N-[(2S)-1-(4-methyl-3-phenyl-piperazin-1-yl)-1-oxidanylidene-propan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(2S)-1-(4-methyl-3-phenyl-piperazin-1-yl)-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: benzyl N-[(1S)-1-methyl-2-(4-methyl-3-phenyl-piperazin-1-yl)-2-oxo-ethyl]carbamate CAS Name: N-[(2S)-1-(4-methyl-3-phenyl-1-piperazinyl)-1-oxopropan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S)-1-(4-methyl-3-phenylpiperazin-1-yl)-1-oxopropan-2-yl]carbamate Traditional Name: N-[(1S)-2-keto-1-methyl-2-(4-methyl-3-phenyl-piperazino)ethyl]carbamic acid benzyl ester Formula: C22H27N3O3 MolecularWeight: 381.46808

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(C(C1)C2=CC=CC=C2)C)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)N1CCN(C(C1)C2=CC=CC=C2)C)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C22H27N3O3/c1-17(23-22(27)28-16-18-9-5-3-6-10-18)21(26)25-14-13-24(2)20(15-25)19-11-7-4-8-12-19/h3-12,17,20H,13-16H2,1-2H3,(H,23,27)/t17-,20?/m0/s1