1-(2-nitrophenyl)-3-[3-[4-(phenylmethyl)piperazin-1-yl]propyl]urea

Systemtic Name: 1-(2-nitrophenyl)-3-[3-[4-(phenylmethyl)piperazin-1-yl]propyl]urea Openeye Name: 1-[3-(4-benzylpiperazin-1-yl)propyl]-3-(2-nitrophenyl)urea CAS Name: 1-(2-nitrophenyl)-3-[3-[4-(phenylmethyl)-1-piperazinyl]propyl]urea IUPAC Name: 1-[3-(4-benzylpiperazin-1-yl)propyl]-3-(2-nitrophenyl)urea Traditional Name: 1-[3-(4-benzylpiperazino)propyl]-3-(2-nitrophenyl)urea Formula: C21H27N5O3 MolecularWeight: 397.47078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCNC(=O)NC2=CC=CC=C2[N+](=O)[O-])CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1CCCNC(=O)NC2=CC=CC=C2[N+](=O)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C21H27N5O3/c27-21(23-19-9-4-5-10-20(19)26(28)29)22-11-6-12-24-13-15-25(16-14-24)17-18-7-2-1-3-8-18/h1-5,7-10H,6,11-17H2,(H2,22,23,27)