N-[4-[(2S)-butan-2-yl]phenyl]-4-[(4-nitropyrazol-1-yl)methyl]benzamide

Systemtic Name: N-[4-[(2S)-butan-2-yl]phenyl]-4-[(4-nitropyrazol-1-yl)methyl]benzamide Openeye Name: N-[4-[(1S)-1-methylpropyl]phenyl]-4-[(4-nitropyrazol-1-yl)methyl]benzamide CAS Name: N-[4-[(2S)-butan-2-yl]phenyl]-4-[(4-nitro-1-pyrazolyl)methyl]benzamide IUPAC Name: N-[4-[(2S)-butan-2-yl]phenyl]-4-[(4-nitropyrazol-1-yl)methyl]benzamide Traditional Name: N-[4-[(1S)-1-methylpropyl]phenyl]-4-[(4-nitropyrazol-1-yl)methyl]benzamide Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3C=C(C=N3)[N+](=O)[O-]

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3C=C(C=N3)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O3/c1-3-15(2)17-8-10-19(11-9-17)23-21(26)18-6-4-16(5-7-18)13-24-14-20(12-22-24)25(27)28/h4-12,14-15H,3,13H2,1-2H3,(H,23,26)/t15-/m0/s1