4-[2-[3-(1,4-diazepan-1-yl)propoxy]pyrimidin-5-yl]benzenecarbonitrile

Systemtic Name: 4-[2-[3-(1,4-diazepan-1-yl)propoxy]pyrimidin-5-yl]benzenecarbonitrile Openeye Name: 4-[2-[3-(1,4-diazepan-1-yl)propoxy]pyrimidin-5-yl]benzonitrile CAS Name: 4-[2-[3-(1,4-diazepan-1-yl)propoxy]-5-pyrimidinyl]benzonitrile IUPAC Name: 4-[2-[3-(1,4-diazepan-1-yl)propoxy]pyrimidin-5-yl]benzonitrile Traditional Name: 4-[2-[3-(1,4-diazepan-1-yl)propoxy]pyrimidin-5-yl]benzonitrile Formula: C19H23N5O MolecularWeight: 337.41882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)CCCOC2=NC=C(C=N2)C3=CC=C(C=C3)C#N

Isomeric SMILES

C1CNCCN(C1)CCCOC2=NC=C(C=N2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C19H23N5O/c20-13-16-3-5-17(6-4-16)18-14-22-19(23-15-18)25-12-2-10-24-9-1-7-21-8-11-24/h3-6,14-15,21H,1-2,7-12H2