N-[4-(azepan-1-ylcarbonyl)-2-phenyl-pyrazol-3-yl]-4-nitro-benzamide

Systemtic Name: N-[4-(azepan-1-ylcarbonyl)-2-phenyl-pyrazol-3-yl]-4-nitro-benzamide Openeye Name: N-[4-(azepane-1-carbonyl)-2-phenyl-pyrazol-3-yl]-4-nitro-benzamide CAS Name: N-[4-[1-azepanyl(oxo)methyl]-2-phenyl-3-pyrazolyl]-4-nitrobenzamide IUPAC Name: N-[4-(azepane-1-carbonyl)-2-phenylpyrazol-3-yl]-4-nitrobenzamide Traditional Name: N-[4-(azepane-1-carbonyl)-2-phenyl-pyrazol-3-yl]-4-nitro-benzamide Formula: C23H23N5O4 MolecularWeight: 433.45982

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=C(N(N=C2)C3=CC=CC=C3)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=C(N(N=C2)C3=CC=CC=C3)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H23N5O4/c29-22(17-10-12-19(13-11-17)28(31)32)25-21-20(23(30)26-14-6-1-2-7-15-26)16-24-27(21)18-8-4-3-5-9-18/h3-5,8-13,16H,1-2,6-7,14-15H2,(H,25,29)