4-[4-[2-[4-(2-azanylpropanoyl)piperazin-1-yl]ethoxy]phenyl]benzenecarbonitrile

Systemtic Name: 4-[4-[2-[4-(2-azanylpropanoyl)piperazin-1-yl]ethoxy]phenyl]benzenecarbonitrile Openeye Name: 4-[4-[2-[4-(2-aminopropanoyl)piperazin-1-yl]ethoxy]phenyl]benzonitrile CAS Name: 4-[4-[2-[4-(2-amino-1-oxopropyl)-1-piperazinyl]ethoxy]phenyl]benzonitrile IUPAC Name: 4-[4-[2-[4-(2-aminopropanoyl)piperazin-1-yl]ethoxy]phenyl]benzonitrile Traditional Name: 4-[4-[2-(4-alanylpiperazino)ethoxy]phenyl]benzonitrile Formula: C22H26N4O2 MolecularWeight: 378.46744

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)CCOC2=CC=C(C=C2)C3=CC=C(C=C3)C#N)N

Isomeric SMILES

CC(C(=O)N1CCN(CC1)CCOC2=CC=C(C=C2)C3=CC=C(C=C3)C#N)N

InChI

InChI=1S/C22H26N4O2/c1-17(24)22(27)26-12-10-25(11-13-26)14-15-28-21-8-6-20(7-9-21)19-4-2-18(16-23)3-5-19/h2-9,17H,10-15,24H2,1H3