2-[[13-[(2-cyanophenyl)methyl]-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]methyl]benzenecarbonitrile

Systemtic Name: 2-[[13-[(2-cyanophenyl)methyl]-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]methyl]benzenecarbonitrile Openeye Name: 2-[[13-[(2-cyanophenyl)methyl]-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]methyl]benzonitrile CAS Name: 2-[[13-[(2-cyanophenyl)methyl]-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]methyl]benzonitrile IUPAC Name: 2-[[13-[(2-cyanophenyl)methyl]-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]methyl]benzonitrile Traditional Name: 2-[[13-(2-cyanobenzyl)-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]methyl]benzonitrile Formula: C26H32N4O3 MolecularWeight: 448.55728

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN(CCOCCOCCN1CC2=CC=CC=C2C#N)CC3=CC=CC=C3C#N

Isomeric SMILES

C1COCCN(CCOCCOCCN1CC2=CC=CC=C2C#N)CC3=CC=CC=C3C#N

InChI

InChI=1S/C26H32N4O3/c27-19-23-5-1-3-7-25(23)21-29-9-13-31-14-10-30(12-16-33-18-17-32-15-11-29)22-26-8-4-2-6-24(26)20-28/h1-8H,9-18,21-22H2