N-(2,3-dihydro-1H-inden-5-yl)-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzamide

Systemtic Name: N-(2,3-dihydro-1H-inden-5-yl)-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzamide Openeye Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-indan-5-yl-benzamide CAS Name: N-(2,3-dihydro-1H-inden-5-yl)-4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]benzamide IUPAC Name: N-(2,3-dihydro-1H-inden-5-yl)-4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzamide Traditional Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-indan-5-yl-benzamide Formula: C22H22N4O3 MolecularWeight: 390.43508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NC3=CC4=C(CCC4)C=C3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NC3=CC4=C(CCC4)C=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C22H22N4O3/c1-14-21(26(28)29)15(2)25(24-14)13-16-6-8-18(9-7-16)22(27)23-20-11-10-17-4-3-5-19(17)12-20/h6-12H,3-5,13H2,1-2H3,(H,23,27)