2-[(2S)-1-oxidanylidene-1-[4-(phenylmethyl)piperazin-1-yl]propan-2-yl]oxybenzenecarbonitrile

Systemtic Name: 2-[(2S)-1-oxidanylidene-1-[4-(phenylmethyl)piperazin-1-yl]propan-2-yl]oxybenzenecarbonitrile Openeye Name: 2-[(1S)-2-(4-benzylpiperazin-1-yl)-1-methyl-2-oxo-ethoxy]benzonitrile CAS Name: 2-[(2S)-1-oxo-1-[4-(phenylmethyl)-1-piperazinyl]propan-2-yl]oxybenzonitrile IUPAC Name: 2-[(2S)-1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]oxybenzonitrile Traditional Name: 2-[(1S)-2-(4-benzylpiperazino)-2-keto-1-methyl-ethoxy]benzonitrile Formula: C21H23N3O2 MolecularWeight: 349.42622

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)CC2=CC=CC=C2)OC3=CC=CC=C3C#N

Isomeric SMILES

C[C@@H](C(=O)N1CCN(CC1)CC2=CC=CC=C2)OC3=CC=CC=C3C#N

InChI

InChI=1S/C21H23N3O2/c1-17(26-20-10-6-5-9-19(20)15-22)21(25)24-13-11-23(12-14-24)16-18-7-3-2-4-8-18/h2-10,17H,11-14,16H2,1H3/t17-/m0/s1