5-methyl-2-(4-nitrophenyl)-4-[(3-phenylpropylamino)methylidene]pyrazol-3-one

Systemtic Name: 5-methyl-2-(4-nitrophenyl)-4-[(3-phenylpropylamino)methylidene]pyrazol-3-one Openeye Name: 5-methyl-2-(4-nitrophenyl)-4-[(3-phenylpropylamino)methylene]pyrazol-3-one CAS Name: 5-methyl-2-(4-nitrophenyl)-4-[(3-phenylpropylamino)methylidene]-3-pyrazolone IUPAC Name: 5-methyl-2-(4-nitrophenyl)-4-[(3-phenylpropylamino)methylidene]pyrazol-3-one Traditional Name: 5-methyl-2-(4-nitrophenyl)-4-[(3-phenylpropylamino)methylene]-2-pyrazolin-3-one Formula: C20H20N4O3 MolecularWeight: 364.3978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CNCCCC2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=NN(C(=O)C1=CNCCCC2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O3/c1-15-19(14-21-13-5-8-16-6-3-2-4-7-16)20(25)23(22-15)17-9-11-18(12-10-17)24(26)27/h2-4,6-7,9-12,14,21H,5,8,13H2,1H3