3-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(1H-indol-3-ylmethyl)benzamide

Systemtic Name: 3-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(1H-indol-3-ylmethyl)benzamide Openeye Name: 3-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(1H-indol-3-ylmethyl)benzamide CAS Name: 3-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-N-(1H-indol-3-ylmethyl)benzamide IUPAC Name: 3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-(1H-indol-3-ylmethyl)benzamide Traditional Name: 3-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(1H-indol-3-ylmethyl)benzamide Formula: C22H21N5O3 MolecularWeight: 403.43384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC(=C2)C(=O)NCC3=CNC4=CC=CC=C43)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC(=C2)C(=O)NCC3=CNC4=CC=CC=C43)C)[N+](=O)[O-]

InChI

InChI=1S/C22H21N5O3/c1-14-21(27(29)30)15(2)26(25-14)13-16-6-5-7-17(10-16)22(28)24-12-18-11-23-20-9-4-3-8-19(18)20/h3-11,23H,12-13H2,1-2H3,(H,24,28)