4-nitro-N-phenethyl-3-(1-propan-2-ylpyrazol-4-yl)benzamide

Systemtic Name: 4-nitro-N-phenethyl-3-(1-propan-2-ylpyrazol-4-yl)benzamide Openeye Name: 3-(1-isopropylpyrazol-4-yl)-4-nitro-N-phenethyl-benzamide CAS Name: 4-nitro-N-phenethyl-3-(1-propan-2-yl-4-pyrazolyl)benzamide IUPAC Name: 4-nitro-N-phenethyl-3-(1-propan-2-ylpyrazol-4-yl)benzamide Traditional Name: 3-(1-isopropylpyrazol-4-yl)-4-nitro-N-phenethyl-benzamide Formula: C21H22N4O3 MolecularWeight: 378.42438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=C(C=N1)C2=C(C=CC(=C2)C(=O)NCCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)N1C=C(C=N1)C2=C(C=CC(=C2)C(=O)NCCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O3/c1-15(2)24-14-18(13-23-24)19-12-17(8-9-20(19)25(27)28)21(26)22-11-10-16-6-4-3-5-7-16/h3-9,12-15H,10-11H2,1-2H3,(H,22,26)