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

Systemtic Name: N-(1-azanyl-3-phenyl-propan-2-yl)-5-(3-chloranyl-1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide Openeye Name: N-[1-(aminomethyl)-2-phenyl-ethyl]-5-(3-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide CAS Name: N-(1-amino-3-phenylpropan-2-yl)-5-(3-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)-2-thiophenecarboxamide IUPAC Name: N-(1-amino-3-phenylpropan-2-yl)-5-(3-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide Traditional Name: N-[1-(aminomethyl)-2-phenyl-ethyl]-5-(3-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide Formula: C21H19ClN4OS MolecularWeight: 410.91976

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CN)NC(=O)C2=CC=C(S2)C3=C4C(=CNC4=NC=C3)Cl

Isomeric SMILES

C1=CC=C(C=C1)CC(CN)NC(=O)C2=CC=C(S2)C3=C4C(=CNC4=NC=C3)Cl

InChI

InChI=1S/C21H19ClN4OS/c22-16-12-25-20-19(16)15(8-9-24-20)17-6-7-18(28-17)21(27)26-14(11-23)10-13-4-2-1-3-5-13/h1-9,12,14H,10-11,23H2,(H,24,25)(H,26,27)