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2-azanyl-3-(phenylcarbonyl)-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-1-carbonitrile
2-azanyl-3-(phenylcarbonyl)-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-1-carbonitrile
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Descriptors Computed from Structure
Canonical SMILES:
C1CCC2=C(C(=C(N2CC1)C(=O)C3=CC=CC=C3)N)C#N
Isomeric SMILES
C1CCC2=C(C(=C(N2CC1)C(=O)C3=CC=CC=C3)N)C#N
InChI
InChI=1S/C17H17N3O/c18-11-13-14-9-5-2-6-10-20(14)16(15(13)19)17(21)12-7-3-1-4-8-12/h1,3-4,7-8H,2,5-6,9-10,19H2
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