(E)-2-phenyl-1-piperidin-1-yl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-en-1-one

Systemtic Name: (E)-2-phenyl-1-piperidin-1-yl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-en-1-one Openeye Name: (E)-2-phenyl-1-(1-piperidyl)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-en-1-one CAS Name: (E)-2-phenyl-1-(1-piperidinyl)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-propen-1-one IUPAC Name: (E)-2-phenyl-1-piperidin-1-yl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-en-1-one Traditional Name: (E)-2-phenyl-1-piperidino-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-en-1-one Formula: C21H21N3O MolecularWeight: 331.41094

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C(=CC2=CNC3=C2C=CC=N3)C4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)C(=O)/C(=C/C2=CNC3=C2C=CC=N3)/C4=CC=CC=C4

InChI

InChI=1S/C21H21N3O/c25-21(24-12-5-2-6-13-24)19(16-8-3-1-4-9-16)14-17-15-23-20-18(17)10-7-11-22-20/h1,3-4,7-11,14-15H,2,5-6,12-13H2,(H,22,23)/b19-14+