N-[(4-but-2-ynoxyphenyl)methyl]-2-[(1R)-3-oxidanylidene-1,2-dihydroisoindol-1-yl]-N-(pyridin-3-ylmethyl)ethanamide

Systemtic Name: N-[(4-but-2-ynoxyphenyl)methyl]-2-[(1R)-3-oxidanylidene-1,2-dihydroisoindol-1-yl]-N-(pyridin-3-ylmethyl)ethanamide Openeye Name: N-[(4-but-2-ynoxyphenyl)methyl]-2-[(1R)-3-oxoisoindolin-1-yl]-N-(3-pyridylmethyl)acetamide CAS Name: N-[(4-but-2-ynoxyphenyl)methyl]-2-[(1R)-3-oxo-1,2-dihydroisoindol-1-yl]-N-(3-pyridinylmethyl)acetamide IUPAC Name: N-[(4-but-2-ynoxyphenyl)methyl]-2-[(1R)-3-oxo-1,2-dihydroisoindol-1-yl]-N-(pyridin-3-ylmethyl)acetamide Traditional Name: N-(4-but-2-ynoxybenzyl)-2-[(1R)-3-ketoisoindolin-1-yl]-N-(3-pyridylmethyl)acetamide Formula: C27H25N3O3 MolecularWeight: 439.5057

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)CN(CC2=CN=CC=C2)C(=O)CC3C4=CC=CC=C4C(=O)N3

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)CN(CC2=CN=CC=C2)C(=O)C[C@@H]3C4=CC=CC=C4C(=O)N3

InChI

InChI=1S/C27H25N3O3/c1-2-3-15-33-22-12-10-20(11-13-22)18-30(19-21-7-6-14-28-17-21)26(31)16-25-23-8-4-5-9-24(23)27(32)29-25/h4-14,17,25H,15-16,18-19H2,1H3,(H,29,32)/t25-/m1/s1