4-[3-(dimethylamino)propyliminomethyl]-2-(4-nitrophenyl)-5-phenyl-4H-pyrazol-3-one

Systemtic Name: 4-[3-(dimethylamino)propyliminomethyl]-2-(4-nitrophenyl)-5-phenyl-4H-pyrazol-3-one Openeye Name: 4-[3-(dimethylamino)propyliminomethyl]-2-(4-nitrophenyl)-5-phenyl-4H-pyrazol-3-one CAS Name: 4-[3-(dimethylamino)propyliminomethyl]-2-(4-nitrophenyl)-5-phenyl-4H-pyrazol-3-one IUPAC Name: 4-[3-(dimethylamino)propyliminomethyl]-2-(4-nitrophenyl)-5-phenyl-4H-pyrazol-3-one Traditional Name: 4-[3-(dimethylamino)propyliminomethyl]-2-(4-nitrophenyl)-5-phenyl-2-pyrazolin-3-one Formula: C21H23N5O3 MolecularWeight: 393.43902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCN=CC1C(=NN(C1=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CN(C)CCCN=CC1C(=NN(C1=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C21H23N5O3/c1-24(2)14-6-13-22-15-19-20(16-7-4-3-5-8-16)23-25(21(19)27)17-9-11-18(12-10-17)26(28)29/h3-5,7-12,15,19H,6,13-14H2,1-2H3