4-[4-[3-[2,6-bis(azanyl)phenoxy]propoxy]phenyl]benzenecarbonitrile

Systemtic Name: 4-[4-[3-[2,6-bis(azanyl)phenoxy]propoxy]phenyl]benzenecarbonitrile Openeye Name: 4-[4-[3-(2,6-diaminophenoxy)propoxy]phenyl]benzonitrile CAS Name: 4-[4-[3-(2,6-diaminophenoxy)propoxy]phenyl]benzonitrile IUPAC Name: 4-[4-[3-(2,6-diaminophenoxy)propoxy]phenyl]benzonitrile Traditional Name: 4-[4-[3-(2,6-diaminophenoxy)propoxy]phenyl]benzonitrile Formula: C22H21N3O2 MolecularWeight: 359.42104

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)N)OCCCOC2=CC=C(C=C2)C3=CC=C(C=C3)C#N)N

Isomeric SMILES

C1=CC(=C(C(=C1)N)OCCCOC2=CC=C(C=C2)C3=CC=C(C=C3)C#N)N

InChI

InChI=1S/C22H21N3O2/c23-15-16-5-7-17(8-6-16)18-9-11-19(12-10-18)26-13-2-14-27-22-20(24)3-1-4-21(22)25/h1,3-12H,2,13-14,24-25H2