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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NC3CCC4=CC=CC=C34)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)N[C@H]3CCC4=CC=CC=C34)C)[N+](=O)[O-]

InChI

InChI=1S/C22H22N4O3/c1-14-21(26(28)29)15(2)25(24-14)13-16-7-9-18(10-8-16)22(27)23-20-12-11-17-5-3-4-6-19(17)20/h3-10,20H,11-13H2,1-2H3,(H,23,27)/t20-/m0/s1