4-[bis(2-cyanoethyl)amino]-N'-(4-fluorophenyl)-N-phenylimino-benzenecarboximidamide

Systemtic Name: 4-[bis(2-cyanoethyl)amino]-N'-(4-fluorophenyl)-N-phenylimino-benzenecarboximidamide Openeye Name: 4-[bis(2-cyanoethyl)amino]-N'-(4-fluorophenyl)-N-phenylimino-benzamidine CAS Name: 4-[bis(2-cyanoethyl)amino]-N'-(4-fluorophenyl)-N-phenyliminobenzenecarboximidamide IUPAC Name: 4-[bis(2-cyanoethyl)amino]-N'-(4-fluorophenyl)-N-phenyliminobenzenecarboximidamide Traditional Name: 4-[bis(2-cyanoethyl)amino]-N'-(4-fluorophenyl)-N-phenylimino-benzamidine Formula: C25H21FN6 MolecularWeight: 424.472843

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N=NC(=NC2=CC=C(C=C2)F)C3=CC=C(C=C3)N(CCC#N)CCC#N

Isomeric SMILES

C1=CC=C(C=C1)N=NC(=NC2=CC=C(C=C2)F)C3=CC=C(C=C3)N(CCC#N)CCC#N

InChI

InChI=1S/C25H21FN6/c26-21-10-12-22(13-11-21)29-25(31-30-23-6-2-1-3-7-23)20-8-14-24(15-9-20)32(18-4-16-27)19-5-17-28/h1-3,6-15H,4-5,18-19H2