(E)-3-[5-(2-phenylethanoylamino)-1H-pyrrolo[2,3-b]pyridin-3-yl]prop-2-enamide

Systemtic Name: (E)-3-[5-(2-phenylethanoylamino)-1H-pyrrolo[2,3-b]pyridin-3-yl]prop-2-enamide Openeye Name: (E)-3-[5-[(2-phenylacetyl)amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]prop-2-enamide CAS Name: (E)-3-[5-[(1-oxo-2-phenylethyl)amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-propenamide IUPAC Name: (E)-3-[5-[(2-phenylacetyl)amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]prop-2-enamide Traditional Name: (E)-3-[5-[(2-phenylacetyl)amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]acrylamide Formula: C18H16N4O2 MolecularWeight: 320.34524

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=O)NC2=CN=C3C(=C2)C(=CN3)C=CC(=O)N

Isomeric SMILES

C1=CC=C(C=C1)CC(=O)NC2=CN=C3C(=C2)C(=CN3)/C=C/C(=O)N

InChI

InChI=1S/C18H16N4O2/c19-16(23)7-6-13-10-20-18-15(13)9-14(11-21-18)22-17(24)8-12-4-2-1-3-5-12/h1-7,9-11H,8H2,(H2,19,23)(H,20,21)(H,22,24)/b7-6+