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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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