3-cyano-1-(4-fluorophenyl)-N-[(3S)-2-oxidanylideneazepan-3-yl]pyrrole-2-carboxamide

Systemtic Name: 3-cyano-1-(4-fluorophenyl)-N-[(3S)-2-oxidanylideneazepan-3-yl]pyrrole-2-carboxamide Openeye Name: 3-cyano-1-(4-fluorophenyl)-N-[(3S)-2-oxoazepan-3-yl]pyrrole-2-carboxamide CAS Name: 3-cyano-1-(4-fluorophenyl)-N-[(3S)-2-oxo-3-azepanyl]-2-pyrrolecarboxamide IUPAC Name: 3-cyano-1-(4-fluorophenyl)-N-[(3S)-2-oxoazepan-3-yl]pyrrole-2-carboxamide Traditional Name: 3-cyano-1-(4-fluorophenyl)-N-[(3S)-2-ketoazepan-3-yl]pyrrole-2-carboxamide Formula: C18H17FN4O2 MolecularWeight: 340.351583

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)NC(=O)C2=C(C=CN2C3=CC=C(C=C3)F)C#N

Isomeric SMILES

C1CCNC(=O)[C@H](C1)NC(=O)C2=C(C=CN2C3=CC=C(C=C3)F)C#N

InChI

InChI=1S/C18H17FN4O2/c19-13-4-6-14(7-5-13)23-10-8-12(11-20)16(23)18(25)22-15-3-1-2-9-21-17(15)24/h4-8,10,15H,1-3,9H2,(H,21,24)(H,22,25)/t15-/m0/s1