4-[4-[3-(1,4-diazepan-1-yl)propoxy]phenyl]benzenecarbonitrile

Systemtic Name: 4-[4-[3-(1,4-diazepan-1-yl)propoxy]phenyl]benzenecarbonitrile Openeye Name: 4-[4-[3-(1,4-diazepan-1-yl)propoxy]phenyl]benzonitrile CAS Name: 4-[4-[3-(1,4-diazepan-1-yl)propoxy]phenyl]benzonitrile IUPAC Name: 4-[4-[3-(1,4-diazepan-1-yl)propoxy]phenyl]benzonitrile Traditional Name: 4-[4-[3-(1,4-diazepan-1-yl)propoxy]phenyl]benzonitrile Formula: C21H25N3O MolecularWeight: 335.4427

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)CCCOC2=CC=C(C=C2)C3=CC=C(C=C3)C#N

Isomeric SMILES

C1CNCCN(C1)CCCOC2=CC=C(C=C2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H25N3O/c22-17-18-3-5-19(6-4-18)20-7-9-21(10-8-20)25-16-2-14-24-13-1-11-23-12-15-24/h3-10,23H,1-2,11-16H2