5-azanyl-3-[3-[(4-ethanoyl-2-nitro-phenyl)amino]propyl]-1-phenyl-pyrazole-4-carbonitrile

Systemtic Name: 5-azanyl-3-[3-[(4-ethanoyl-2-nitro-phenyl)amino]propyl]-1-phenyl-pyrazole-4-carbonitrile Openeye Name: 3-[3-(4-acetyl-2-nitro-anilino)propyl]-5-amino-1-phenyl-pyrazole-4-carbonitrile CAS Name: 3-[3-(4-acetyl-2-nitroanilino)propyl]-5-amino-1-phenyl-4-pyrazolecarbonitrile IUPAC Name: 3-[3-(4-acetyl-2-nitroanilino)propyl]-5-amino-1-phenylpyrazole-4-carbonitrile Traditional Name: 3-[3-(4-acetyl-2-nitro-anilino)propyl]-5-amino-1-phenyl-pyrazole-4-carbonitrile Formula: C21H20N6O3 MolecularWeight: 404.4219

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)NCCCC2=NN(C(=C2C#N)N)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)NCCCC2=NN(C(=C2C#N)N)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H20N6O3/c1-14(28)15-9-10-19(20(12-15)27(29)30)24-11-5-8-18-17(13-22)21(23)26(25-18)16-6-3-2-4-7-16/h2-4,6-7,9-10,12,24H,5,8,11,23H2,1H3