N-[[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]methyl]-1-phenyl-methanamine hydrochloride

Systemtic Name: N-[[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]methyl]-1-phenyl-methanamine hydrochloride Openeye Name: N-[[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]methyl]-1-phenyl-methanamine hydrochloride CAS Name: N-[[3-(4-nitrophenyl)-1-phenyl-4-pyrazolyl]methyl]-1-phenylmethanamine hydrochloride IUPAC Name: N-[[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]methyl]-1-phenylmethanamine hydrochloride Traditional Name: benzyl-[[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]methyl]amine hydrochloride Formula: C23H21ClN4O2 MolecularWeight: 420.89144

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNCC2=CN(N=C2C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4.Cl

Isomeric SMILES

C1=CC=C(C=C1)CNCC2=CN(N=C2C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4.Cl

InChI

InChI=1S/C23H20N4O2.ClH/c28-27(29)22-13-11-19(12-14-22)23-20(16-24-15-18-7-3-1-4-8-18)17-26(25-23)21-9-5-2-6-10-21;/h1-14,17,24H,15-16H2;1H