3-chloranyl-4-[(2R)-1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl]oxy-benzenecarbonitrile

Systemtic Name: 3-chloranyl-4-[(2R)-1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl]oxy-benzenecarbonitrile Openeye Name: 3-chloro-4-[(1R)-1-methyl-2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]benzonitrile CAS Name: 3-chloro-4-[(2R)-1-oxo-1-(4-phenyl-1-piperazinyl)propan-2-yl]oxybenzonitrile IUPAC Name: 3-chloro-4-[(2R)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]oxybenzonitrile Traditional Name: 3-chloro-4-[(1R)-2-keto-1-methyl-2-(4-phenylpiperazino)ethoxy]benzonitrile Formula: C20H20ClN3O2 MolecularWeight: 369.8447

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C2=CC=CC=C2)OC3=C(C=C(C=C3)C#N)Cl

Isomeric SMILES

C[C@H](C(=O)N1CCN(CC1)C2=CC=CC=C2)OC3=C(C=C(C=C3)C#N)Cl

InChI

InChI=1S/C20H20ClN3O2/c1-15(26-19-8-7-16(14-22)13-18(19)21)20(25)24-11-9-23(10-12-24)17-5-3-2-4-6-17/h2-8,13,15H,9-12H2,1H3/t15-/m1/s1