(E)-N-[(2S)-1-azanyl-3,3-dimethyl-butan-2-yl]-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enamide

Systemtic Name: (E)-N-[(2S)-1-azanyl-3,3-dimethyl-butan-2-yl]-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enamide Openeye Name: (E)-N-[(1S)-1-(aminomethyl)-2,2-dimethyl-propyl]-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enamide CAS Name: (E)-N-[(2S)-1-amino-3,3-dimethylbutan-2-yl]-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-propenamide IUPAC Name: (E)-N-[(2S)-1-amino-3,3-dimethylbutan-2-yl]-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enamide Traditional Name: (E)-N-[(1S)-1-(aminomethyl)-2,2-dimethyl-propyl]-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)acrylamide Formula: C16H22N4O MolecularWeight: 286.37208

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(CN)NC(=O)C=CC1=CNC2=C1C=CC=N2

Isomeric SMILES

CC(C)(C)[C@@H](CN)NC(=O)/C=C/C1=CNC2=C1C=CC=N2

InChI

InChI=1S/C16H22N4O/c1-16(2,3)13(9-17)20-14(21)7-6-11-10-19-15-12(11)5-4-8-18-15/h4-8,10,13H,9,17H2,1-3H3,(H,18,19)(H,20,21)/b7-6+/t13-/m1/s1