N-(4-nitrophenyl)-3-[4-(2-oxidanylidene-2-phenylazanyl-ethyl)piperazin-1-yl]propanamide

Systemtic Name: N-(4-nitrophenyl)-3-[4-(2-oxidanylidene-2-phenylazanyl-ethyl)piperazin-1-yl]propanamide Openeye Name: 3-[4-(2-anilino-2-oxo-ethyl)piperazin-1-yl]-N-(4-nitrophenyl)propanamide CAS Name: 3-[4-(2-anilino-2-oxoethyl)-1-piperazinyl]-N-(4-nitrophenyl)propanamide IUPAC Name: 3-[4-(2-anilino-2-oxoethyl)piperazin-1-yl]-N-(4-nitrophenyl)propanamide Traditional Name: 3-[4-(2-anilino-2-keto-ethyl)piperazino]-N-(4-nitrophenyl)propionamide Formula: C21H25N5O4 MolecularWeight: 411.4543

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])CC(=O)NC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1CCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])CC(=O)NC3=CC=CC=C3

InChI

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