(2S)-2-[4-(2-nitrophenyl)piperazin-1-yl]-N-[(phenylmethyl)carbamoyl]propanamide

Systemtic Name: (2S)-2-[4-(2-nitrophenyl)piperazin-1-yl]-N-[(phenylmethyl)carbamoyl]propanamide Openeye Name: (2S)-N-(benzylcarbamoyl)-2-[4-(2-nitrophenyl)piperazin-1-yl]propanamide CAS Name: (2S)-2-[4-(2-nitrophenyl)-1-piperazinyl]-N-[oxo-[(phenylmethyl)amino]methyl]propanamide IUPAC Name: (2S)-N-(benzylcarbamoyl)-2-[4-(2-nitrophenyl)piperazin-1-yl]propanamide Traditional Name: (2S)-N-(benzylcarbamoyl)-2-[4-(2-nitrophenyl)piperazino]propionamide Formula: C21H25N5O4 MolecularWeight: 411.4543

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NCC1=CC=CC=C1)N2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)NC(=O)NCC1=CC=CC=C1)N2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C21H25N5O4/c1-16(20(27)23-21(28)22-15-17-7-3-2-4-8-17)24-11-13-25(14-12-24)18-9-5-6-10-19(18)26(29)30/h2-10,16H,11-15H2,1H3,(H2,22,23,27,28)/t16-/m0/s1