4-[4-[3-[4-[(2R)-2-azanylpropanoyl]piperazin-1-yl]propoxy]phenyl]benzenecarbonitrile

Systemtic Name: 4-[4-[3-[4-[(2R)-2-azanylpropanoyl]piperazin-1-yl]propoxy]phenyl]benzenecarbonitrile Openeye Name: 4-[4-[3-[4-[(2R)-2-aminopropanoyl]piperazin-1-yl]propoxy]phenyl]benzonitrile CAS Name: 4-[4-[3-[4-[(2R)-2-amino-1-oxopropyl]-1-piperazinyl]propoxy]phenyl]benzonitrile IUPAC Name: 4-[4-[3-[4-[(2R)-2-aminopropanoyl]piperazin-1-yl]propoxy]phenyl]benzonitrile Traditional Name: 4-[4-[3-[4-[(2R)-2-aminopropanoyl]piperazino]propoxy]phenyl]benzonitrile Formula: C23H28N4O2 MolecularWeight: 392.49402

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)CCCOC2=CC=C(C=C2)C3=CC=C(C=C3)C#N)N

Isomeric SMILES

C[C@H](C(=O)N1CCN(CC1)CCCOC2=CC=C(C=C2)C3=CC=C(C=C3)C#N)N

InChI

InChI=1S/C23H28N4O2/c1-18(25)23(28)27-14-12-26(13-15-27)11-2-16-29-22-9-7-21(8-10-22)20-5-3-19(17-24)4-6-20/h3-10,18H,2,11-16,25H2,1H3/t18-/m1/s1