2-methyl-3-[4-[(1R,2S)-2-phenylcyclopropyl]carbonylpiperazin-1-yl]benzenecarbonitrile

Systemtic Name: 2-methyl-3-[4-[(1R,2S)-2-phenylcyclopropyl]carbonylpiperazin-1-yl]benzenecarbonitrile Openeye Name: 2-methyl-3-[4-[(1R,2S)-2-phenylcyclopropanecarbonyl]piperazin-1-yl]benzonitrile CAS Name: 2-methyl-3-[4-[oxo-[(1R,2S)-2-phenylcyclopropyl]methyl]-1-piperazinyl]benzonitrile IUPAC Name: 2-methyl-3-[4-[(1R,2S)-2-phenylcyclopropanecarbonyl]piperazin-1-yl]benzonitrile Traditional Name: 2-methyl-3-[4-[(1R,2S)-2-phenylcyclopropanecarbonyl]piperazino]benzonitrile Formula: C22H23N3O MolecularWeight: 345.43752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1N2CCN(CC2)C(=O)C3CC3C4=CC=CC=C4)C#N

Isomeric SMILES

CC1=C(C=CC=C1N2CCN(CC2)C(=O)[C@@H]3C[C@@H]3C4=CC=CC=C4)C#N

InChI

InChI=1S/C22H23N3O/c1-16-18(15-23)8-5-9-21(16)24-10-12-25(13-11-24)22(26)20-14-19(20)17-6-3-2-4-7-17/h2-9,19-20H,10-14H2,1H3/t19-,20-/m1/s1