N-[[4-[3-[4-(aminomethyl)phenoxy]propoxy]phenyl]methyl]-4-cyano-benzamide

Systemtic Name: N-[[4-[3-[4-(aminomethyl)phenoxy]propoxy]phenyl]methyl]-4-cyano-benzamide Openeye Name: N-[[4-[3-[4-(aminomethyl)phenoxy]propoxy]phenyl]methyl]-4-cyano-benzamide CAS Name: N-[[4-[3-[4-(aminomethyl)phenoxy]propoxy]phenyl]methyl]-4-cyanobenzamide IUPAC Name: N-[[4-[3-[4-(aminomethyl)phenoxy]propoxy]phenyl]methyl]-4-cyanobenzamide Traditional Name: N-[4-[3-[4-(aminomethyl)phenoxy]propoxy]benzyl]-4-cyano-benzamide Formula: C25H25N3O3 MolecularWeight: 415.4843

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN)OCCCOC2=CC=C(C=C2)CNC(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

C1=CC(=CC=C1CN)OCCCOC2=CC=C(C=C2)CNC(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C25H25N3O3/c26-16-19-2-8-22(9-3-19)25(29)28-18-21-6-12-24(13-7-21)31-15-1-14-30-23-10-4-20(17-27)5-11-23/h2-13H,1,14-15,17-18,27H2,(H,28,29)