3-azanylidene-3-(azepan-1-yl)-2-[(4-fluorophenyl)hydrazinylidene]propanenitrile

Systemtic Name: 3-azanylidene-3-(azepan-1-yl)-2-[(4-fluorophenyl)hydrazinylidene]propanenitrile Openeye Name: 2-(azepan-1-yl)-N-(4-fluoroanilino)-2-imino-acetimidoyl cyanide CAS Name: 3-(1-azepanyl)-2-[(4-fluorophenyl)hydrazinylidene]-3-iminopropanenitrile IUPAC Name: 2-(azepan-1-yl)-N-(4-fluoroanilino)-2-iminoethanimidoyl cyanide Traditional Name: 3-(azepan-1-yl)-2-[(4-fluorophenyl)hydrazono]-3-imino-propionitrile Formula: C15H18FN5 MolecularWeight: 287.335323

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=N)C(=NNC2=CC=C(C=C2)F)C#N

Isomeric SMILES

C1CCCN(CC1)C(=N)C(=NNC2=CC=C(C=C2)F)C#N

InChI

InChI=1S/C15H18FN5/c16-12-5-7-13(8-6-12)19-20-14(11-17)15(18)21-9-3-1-2-4-10-21/h5-8,18-19H,1-4,9-10H2