4-(cyclopropylamino)-N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-N-methyl-3-nitro-benzamide

Systemtic Name: 4-(cyclopropylamino)-N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-N-methyl-3-nitro-benzamide Openeye Name: 4-(cyclopropylamino)-N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-N-methyl-3-nitro-benzamide CAS Name: 4-(cyclopropylamino)-N-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl]-N-methyl-3-nitrobenzamide IUPAC Name: 4-(cyclopropylamino)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-3-nitrobenzamide Traditional Name: 4-(cyclopropylamino)-N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-N-methyl-3-nitro-benzamide Formula: C23H25N5O3 MolecularWeight: 419.4763

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CN(C)C(=O)C3=CC(=C(C=C3)NC4CC4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CN(C)C(=O)C3=CC(=C(C=C3)NC4CC4)[N+](=O)[O-]

InChI

InChI=1S/C23H25N5O3/c1-15-20(16(2)27(25-15)19-7-5-4-6-8-19)14-26(3)23(29)17-9-12-21(24-18-10-11-18)22(13-17)28(30)31/h4-9,12-13,18,24H,10-11,14H2,1-3H3