N-[4-[(3S)-3-azanylazepan-1-yl]-5-bromanyl-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopropanecarboxamide

Systemtic Name: N-[4-[(3S)-3-azanylazepan-1-yl]-5-bromanyl-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopropanecarboxamide Openeye Name: N-[4-[(3S)-3-aminoazepan-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopropanecarboxamide CAS Name: N-[4-[(3S)-3-amino-1-azepanyl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopropanecarboxamide IUPAC Name: N-[4-[(3S)-3-aminoazepan-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopropanecarboxamide Traditional Name: N-[4-[(3S)-3-aminoazepan-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopropanecarboxamide Formula: C17H22BrN5O MolecularWeight: 392.29348

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC(C1)N)C2=C3C(=CNC3=NC=C2Br)NC(=O)C4CC4

Isomeric SMILES

C1CCN(C[C@H](C1)N)C2=C3C(=CNC3=NC=C2Br)NC(=O)C4CC4

InChI

InChI=1S/C17H22BrN5O/c18-12-7-20-16-14(13(8-21-16)22-17(24)10-4-5-10)15(12)23-6-2-1-3-11(19)9-23/h7-8,10-11H,1-6,9,19H2,(H,20,21)(H,22,24)/t11-/m0/s1