1-(4-nitrophenyl)-3-[3-[4-(phenylmethyl)piperazin-1-yl]propanoylamino]urea

Systemtic Name: 1-(4-nitrophenyl)-3-[3-[4-(phenylmethyl)piperazin-1-yl]propanoylamino]urea Openeye Name: 1-[3-(4-benzylpiperazin-1-yl)propanoylamino]-3-(4-nitrophenyl)urea CAS Name: 1-(4-nitrophenyl)-3-[[1-oxo-3-[4-(phenylmethyl)-1-piperazinyl]propyl]amino]urea IUPAC Name: 1-[3-(4-benzylpiperazin-1-yl)propanoylamino]-3-(4-nitrophenyl)urea Traditional Name: 1-[3-(4-benzylpiperazino)propanoylamino]-3-(4-nitrophenyl)urea Formula: C21H26N6O4 MolecularWeight: 426.46894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N6O4/c28-20(23-24-21(29)22-18-6-8-19(9-7-18)27(30)31)10-11-25-12-14-26(15-13-25)16-17-4-2-1-3-5-17/h1-9H,10-16H2,(H,23,28)(H2,22,24,29)