3-(1-azanyl-3-phenyl-propan-2-yl)oxy-4-bromanyl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide

Systemtic Name: 3-(1-azanyl-3-phenyl-propan-2-yl)oxy-4-bromanyl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide Openeye Name: 3-[1-(aminomethyl)-2-phenyl-ethoxy]-4-bromo-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide CAS Name: 3-(1-amino-3-phenylpropan-2-yl)oxy-4-bromo-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-thiophenecarboxamide IUPAC Name: 3-(1-amino-3-phenylpropan-2-yl)oxy-4-bromo-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide Traditional Name: 3-[1-(aminomethyl)-2-phenyl-ethoxy]-4-bromo-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide Formula: C21H19BrN4O2S MolecularWeight: 471.37016

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CN)OC2=C(SC(=C2Br)C3=C4C=CNC4=NC=C3)C(=O)N

Isomeric SMILES

C1=CC=C(C=C1)CC(CN)OC2=C(SC(=C2Br)C3=C4C=CNC4=NC=C3)C(=O)N

InChI

InChI=1S/C21H19BrN4O2S/c22-16-17(28-13(11-23)10-12-4-2-1-3-5-12)19(20(24)27)29-18(16)14-6-8-25-21-15(14)7-9-26-21/h1-9,13H,10-11,23H2,(H2,24,27)(H,25,26)