methyl 3-[2-[3-[(1-pyrazin-2-ylpiperidin-3-yl)carbonylamino]phenyl]ethynyl]benzoate

Systemtic Name: methyl 3-[2-[3-[(1-pyrazin-2-ylpiperidin-3-yl)carbonylamino]phenyl]ethynyl]benzoate Openeye Name: methyl 3-[2-[3-[(1-pyrazin-2-ylpiperidine-3-carbonyl)amino]phenyl]ethynyl]benzoate CAS Name: 3-[2-[3-[[oxo-[1-(2-pyrazinyl)-3-piperidinyl]methyl]amino]phenyl]ethynyl]benzoic acid methyl ester IUPAC Name: methyl 3-[2-[3-[(1-pyrazin-2-ylpiperidine-3-carbonyl)amino]phenyl]ethynyl]benzoate Traditional Name: 3-[2-[3-[(1-pyrazin-2-ylnipecotoyl)amino]phenyl]ethynyl]benzoic acid methyl ester Formula: C26H24N4O3 MolecularWeight: 440.49376

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=C1)C#CC2=CC(=CC=C2)NC(=O)C3CCCN(C3)C4=NC=CN=C4

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C#CC2=CC(=CC=C2)NC(=O)C3CCCN(C3)C4=NC=CN=C4

InChI

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