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

Systemtic Name: (phenylmethyl) N-[1-[4-(4-nitrophenyl)piperazin-1-yl]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate Openeye Name: benzyl N-[1-benzyl-2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxo-ethyl]carbamate CAS Name: N-[1-[4-(4-nitrophenyl)-1-piperazinyl]-1-oxo-3-phenylpropan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[1-[4-(4-nitrophenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]carbamate Traditional Name: N-[1-benzyl-2-keto-2-[4-(4-nitrophenyl)piperazino]ethyl]carbamic acid benzyl ester Formula: C27H28N4O5 MolecularWeight: 488.53502

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C(CC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C(CC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C27H28N4O5/c32-26(30-17-15-29(16-18-30)23-11-13-24(14-12-23)31(34)35)25(19-21-7-3-1-4-8-21)28-27(33)36-20-22-9-5-2-6-10-22/h1-14,25H,15-20H2,(H,28,33)