4-[(propan-2-ylcarbamoylamino)methyl]-N-[3-(2-pyridin-2-ylethynyl)phenyl]benzamide

Systemtic Name: 4-[(propan-2-ylcarbamoylamino)methyl]-N-[3-(2-pyridin-2-ylethynyl)phenyl]benzamide Openeye Name: 4-[(isopropylcarbamoylamino)methyl]-N-[3-[2-(2-pyridyl)ethynyl]phenyl]benzamide CAS Name: 4-[[[oxo-(propan-2-ylamino)methyl]amino]methyl]-N-[3-[2-(2-pyridinyl)ethynyl]phenyl]benzamide IUPAC Name: 4-[(propan-2-ylcarbamoylamino)methyl]-N-[3-(2-pyridin-2-ylethynyl)phenyl]benzamide Traditional Name: 4-[(isopropylcarbamoylamino)methyl]-N-[3-[2-(2-pyridyl)ethynyl]phenyl]benzamide Formula: C25H24N4O2 MolecularWeight: 412.48366

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NCC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C#CC3=CC=CC=N3

Isomeric SMILES

CC(C)NC(=O)NCC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C#CC3=CC=CC=N3

InChI

InChI=1S/C25H24N4O2/c1-18(2)28-25(31)27-17-20-9-12-21(13-10-20)24(30)29-23-8-5-6-19(16-23)11-14-22-7-3-4-15-26-22/h3-10,12-13,15-16,18H,17H2,1-2H3,(H,29,30)(H2,27,28,31)