1-[4-(4-hexanoylpiperazin-1-yl)phenyl]-3-(4-nitrophenyl)urea

Systemtic Name: 1-[4-(4-hexanoylpiperazin-1-yl)phenyl]-3-(4-nitrophenyl)urea Openeye Name: 1-[4-(4-hexanoylpiperazin-1-yl)phenyl]-3-(4-nitrophenyl)urea CAS Name: 1-(4-nitrophenyl)-3-[4-[4-(1-oxohexyl)-1-piperazinyl]phenyl]urea IUPAC Name: 1-[4-(4-hexanoylpiperazin-1-yl)phenyl]-3-(4-nitrophenyl)urea Traditional Name: 1-[4-(4-caproylpiperazino)phenyl]-3-(4-nitrophenyl)urea Formula: C23H29N5O4 MolecularWeight: 439.50746

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H29N5O4/c1-2-3-4-5-22(29)27-16-14-26(15-17-27)20-10-6-18(7-11-20)24-23(30)25-19-8-12-21(13-9-19)28(31)32/h6-13H,2-5,14-17H2,1H3,(H2,24,25,30)