4-(4-methylpiperidin-1-yl)-3-nitro-N-[3-(2-pyridin-2-ylethynyl)phenyl]benzamide

Systemtic Name: 4-(4-methylpiperidin-1-yl)-3-nitro-N-[3-(2-pyridin-2-ylethynyl)phenyl]benzamide Openeye Name: 4-(4-methyl-1-piperidyl)-3-nitro-N-[3-[2-(2-pyridyl)ethynyl]phenyl]benzamide CAS Name: 4-(4-methyl-1-piperidinyl)-3-nitro-N-[3-[2-(2-pyridinyl)ethynyl]phenyl]benzamide IUPAC Name: 4-(4-methylpiperidin-1-yl)-3-nitro-N-[3-(2-pyridin-2-ylethynyl)phenyl]benzamide Traditional Name: 4-(4-methylpiperidino)-3-nitro-N-[3-[2-(2-pyridyl)ethynyl]phenyl]benzamide Formula: C26H24N4O3 MolecularWeight: 440.49376

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CC=CC(=C3)C#CC4=CC=CC=N4)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CC=CC(=C3)C#CC4=CC=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C26H24N4O3/c1-19-12-15-29(16-13-19)24-11-9-21(18-25(24)30(32)33)26(31)28-23-7-4-5-20(17-23)8-10-22-6-2-3-14-27-22/h2-7,9,11,14,17-19H,12-13,15-16H2,1H3,(H,28,31)