4-[3,5-bis(azanyl)-4-heptoxy-phenyl]benzenecarbonitrile

Systemtic Name: 4-[3,5-bis(azanyl)-4-heptoxy-phenyl]benzenecarbonitrile Openeye Name: 4-(3,5-diamino-4-heptoxy-phenyl)benzonitrile CAS Name: 4-(3,5-diamino-4-heptoxyphenyl)benzonitrile IUPAC Name: 4-(3,5-diamino-4-heptoxyphenyl)benzonitrile Traditional Name: 4-(3,5-diamino-4-heptoxy-phenyl)benzonitrile Formula: C20H25N3O MolecularWeight: 323.432

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=C(C=C(C=C1N)C2=CC=C(C=C2)C#N)N

Isomeric SMILES

CCCCCCCOC1=C(C=C(C=C1N)C2=CC=C(C=C2)C#N)N

InChI

InChI=1S/C20H25N3O/c1-2-3-4-5-6-11-24-20-18(22)12-17(13-19(20)23)16-9-7-15(14-21)8-10-16/h7-10,12-13H,2-6,11,22-23H2,1H3