1-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-3-(4-nitrophenyl)urea

Systemtic Name: 1-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-3-(4-nitrophenyl)urea Openeye Name: 1-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-3-(4-nitrophenyl)urea CAS Name: 1-[[2-[(4-ethyl-1-piperazinyl)methyl]phenyl]methyl]-3-(4-nitrophenyl)urea IUPAC Name: 1-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-3-(4-nitrophenyl)urea Traditional Name: 1-[2-[(4-ethylpiperazino)methyl]benzyl]-3-(4-nitrophenyl)urea Formula: C21H27N5O3 MolecularWeight: 397.47078

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CC2=CC=CC=C2CNC(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCN1CCN(CC1)CC2=CC=CC=C2CNC(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H27N5O3/c1-2-24-11-13-25(14-12-24)16-18-6-4-3-5-17(18)15-22-21(27)23-19-7-9-20(10-8-19)26(28)29/h3-10H,2,11-16H2,1H3,(H2,22,23,27)