1-(2-chloranyl-5-nitro-phenyl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]methanamine

Systemtic Name: 1-(2-chloranyl-5-nitro-phenyl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]methanamine Openeye Name: 1-(2-chloro-5-nitro-phenyl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]methanamine CAS Name: 1-(2-chloro-5-nitrophenyl)-N-methyl-N-[(1-phenyl-4-pyrazolyl)methyl]methanamine IUPAC Name: 1-(2-chloro-5-nitrophenyl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]methanamine Traditional Name: (2-chloro-5-nitro-benzyl)-methyl-[(1-phenylpyrazol-4-yl)methyl]amine Formula: C18H17ClN4O2 MolecularWeight: 356.80618

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=C(C=CC(=C1)[N+](=O)[O-])Cl)CC2=CN(N=C2)C3=CC=CC=C3

Isomeric SMILES

CN(CC1=C(C=CC(=C1)[N+](=O)[O-])Cl)CC2=CN(N=C2)C3=CC=CC=C3

InChI

InChI=1S/C18H17ClN4O2/c1-21(13-15-9-17(23(24)25)7-8-18(15)19)11-14-10-20-22(12-14)16-5-3-2-4-6-16/h2-10,12H,11,13H2,1H3