N-(4-chloranyl-2-nitro-phenyl)-3-[4-(phenylmethyl)piperazin-1-yl]propanamide

Systemtic Name: N-(4-chloranyl-2-nitro-phenyl)-3-[4-(phenylmethyl)piperazin-1-yl]propanamide Openeye Name: 3-(4-benzylpiperazin-1-yl)-N-(4-chloro-2-nitro-phenyl)propanamide CAS Name: N-(4-chloro-2-nitrophenyl)-3-[4-(phenylmethyl)-1-piperazinyl]propanamide IUPAC Name: 3-(4-benzylpiperazin-1-yl)-N-(4-chloro-2-nitrophenyl)propanamide Traditional Name: 3-(4-benzylpiperazino)-N-(4-chloro-2-nitro-phenyl)propionamide Formula: C20H23ClN4O3 MolecularWeight: 402.87462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(=O)NC2=C(C=C(C=C2)Cl)[N+](=O)[O-])CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1CCC(=O)NC2=C(C=C(C=C2)Cl)[N+](=O)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C20H23ClN4O3/c21-17-6-7-18(19(14-17)25(27)28)22-20(26)8-9-23-10-12-24(13-11-23)15-16-4-2-1-3-5-16/h1-7,14H,8-13,15H2,(H,22,26)