4-[[4-[[(2R)-6-methyl-2,3-dihydro-1-benzothiophen-2-yl]carbonyl]piperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[[(2R)-6-methyl-2,3-dihydro-1-benzothiophen-2-yl]carbonyl]piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[(2R)-6-methyl-2,3-dihydrobenzothiophene-2-carbonyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[[(2R)-6-methyl-2,3-dihydro-1-benzothiophen-2-yl]-oxomethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[(2R)-6-methyl-2,3-dihydro-1-benzothiophene-2-carbonyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[(2R)-6-methyl-2,3-dihydrobenzothiophene-2-carbonyl]piperazino]methyl]benzonitrile Formula: C22H23N3OS MolecularWeight: 377.50252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(CC(S2)C(=O)N3CCN(CC3)CC4=CC=C(C=C4)C#N)C=C1

Isomeric SMILES

CC1=CC2=C(C[C@@H](S2)C(=O)N3CCN(CC3)CC4=CC=C(C=C4)C#N)C=C1

InChI

InChI=1S/C22H23N3OS/c1-16-2-7-19-13-21(27-20(19)12-16)22(26)25-10-8-24(9-11-25)15-18-5-3-17(14-23)4-6-18/h2-7,12,21H,8-11,13,15H2,1H3/t21-/m1/s1