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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)CNC(=O)C3=CC(=C(C=C3)NC4CC4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)CNC(=O)C3=CC(=C(C=C3)NC4CC4)[N+](=O)[O-]

InChI

InChI=1S/C23H25N5O3/c1-15-20(16(2)27(26-15)14-17-6-4-3-5-7-17)13-24-23(29)18-8-11-21(25-19-9-10-19)22(12-18)28(30)31/h3-8,11-12,19,25H,9-10,13-14H2,1-2H3,(H,24,29)