1-methyl-3-(3-nitrophenyl)-1-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]urea

Systemtic Name: 1-methyl-3-(3-nitrophenyl)-1-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]urea Openeye Name: 1-methyl-3-(3-nitrophenyl)-1-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]urea CAS Name: 1-methyl-3-(3-nitrophenyl)-1-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]urea IUPAC Name: 1-methyl-3-(3-nitrophenyl)-1-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]urea Traditional Name: 1-methyl-3-(3-nitrophenyl)-1-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]urea Formula: C22H25N5O3 MolecularWeight: 407.4656

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCCCC1=CC(=NN1)C2=CC=CC=C2)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CN(CCCCCC1=CC(=NN1)C2=CC=CC=C2)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H25N5O3/c1-26(22(28)23-18-12-8-13-20(15-18)27(29)30)14-7-3-6-11-19-16-21(25-24-19)17-9-4-2-5-10-17/h2,4-5,8-10,12-13,15-16H,3,6-7,11,14H2,1H3,(H,23,28)(H,24,25)