4-[4-[4-(1,4-diazepan-1-yl)but-1-ynyl]phenyl]benzenecarbonitrile

Systemtic Name: 4-[4-[4-(1,4-diazepan-1-yl)but-1-ynyl]phenyl]benzenecarbonitrile Openeye Name: 4-[4-[4-(1,4-diazepan-1-yl)but-1-ynyl]phenyl]benzonitrile CAS Name: 4-[4-[4-(1,4-diazepan-1-yl)but-1-ynyl]phenyl]benzonitrile IUPAC Name: 4-[4-[4-(1,4-diazepan-1-yl)but-1-ynyl]phenyl]benzonitrile Traditional Name: 4-[4-[4-(1,4-diazepan-1-yl)but-1-ynyl]phenyl]benzonitrile Formula: C22H23N3 MolecularWeight: 329.43812

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)CCC#CC2=CC=C(C=C2)C3=CC=C(C=C3)C#N

Isomeric SMILES

C1CNCCN(C1)CCC#CC2=CC=C(C=C2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H23N3/c23-18-20-7-11-22(12-8-20)21-9-5-19(6-10-21)4-1-2-15-25-16-3-13-24-14-17-25/h5-12,24H,2-3,13-17H2