1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-[3-(morpholin-4-ylmethyl)phenyl]pyrazole-3-carboxamide

Systemtic Name: 1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-[3-(morpholin-4-ylmethyl)phenyl]pyrazole-3-carboxamide Openeye Name: 1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-[3-(morpholinomethyl)phenyl]pyrazole-3-carboxamide CAS Name: 1-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-N-[3-(4-morpholinylmethyl)phenyl]-3-pyrazolecarboxamide IUPAC Name: 1-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-[3-(morpholin-4-ylmethyl)phenyl]pyrazole-3-carboxamide Traditional Name: 1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-[3-(morpholinomethyl)phenyl]pyrazole-3-carboxamide Formula: C21H25N7O4 MolecularWeight: 439.4677

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CN2C=CC(=N2)C(=O)NC3=CC=CC(=C3)CN4CCOCC4)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CN2C=CC(=N2)C(=O)NC3=CC=CC(=C3)CN4CCOCC4)C)[N+](=O)[O-]

InChI

InChI=1S/C21H25N7O4/c1-15-20(28(30)31)16(2)27(23-15)14-26-7-6-19(24-26)21(29)22-18-5-3-4-17(12-18)13-25-8-10-32-11-9-25/h3-7,12H,8-11,13-14H2,1-2H3,(H,22,29)