3-[4-(2-nitrophenyl)piperazin-1-yl]-N-[(phenylmethyl)carbamoyl]propanamide

Systemtic Name: 3-[4-(2-nitrophenyl)piperazin-1-yl]-N-[(phenylmethyl)carbamoyl]propanamide Openeye Name: N-(benzylcarbamoyl)-3-[4-(2-nitrophenyl)piperazin-1-yl]propanamide CAS Name: 3-[4-(2-nitrophenyl)-1-piperazinyl]-N-[oxo-[(phenylmethyl)amino]methyl]propanamide IUPAC Name: N-(benzylcarbamoyl)-3-[4-(2-nitrophenyl)piperazin-1-yl]propanamide Traditional Name: N-(benzylcarbamoyl)-3-[4-(2-nitrophenyl)piperazino]propionamide Formula: C21H25N5O4 MolecularWeight: 411.4543

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(=O)NC(=O)NCC2=CC=CC=C2)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CCC(=O)NC(=O)NCC2=CC=CC=C2)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C21H25N5O4/c27-20(23-21(28)22-16-17-6-2-1-3-7-17)10-11-24-12-14-25(15-13-24)18-8-4-5-9-19(18)26(29)30/h1-9H,10-16H2,(H2,22,23,27,28)