4-[2-[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxidanylidene-ethoxy]benzenecarbonitrile

Systemtic Name: 4-[2-[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxidanylidene-ethoxy]benzenecarbonitrile Openeye Name: 4-[2-[(3S)-3-methyl-4-(m-tolyl)piperazin-1-yl]-2-oxo-ethoxy]benzonitrile CAS Name: 4-[2-[(3S)-3-methyl-4-(3-methylphenyl)-1-piperazinyl]-2-oxoethoxy]benzonitrile IUPAC Name: 4-[2-[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethoxy]benzonitrile Traditional Name: 4-[2-keto-2-[(3S)-3-methyl-4-(m-tolyl)piperazino]ethoxy]benzonitrile Formula: C21H23N3O2 MolecularWeight: 349.42622

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C2=CC=CC(=C2)C)C(=O)COC3=CC=C(C=C3)C#N

Isomeric SMILES

C[C@H]1CN(CCN1C2=CC=CC(=C2)C)C(=O)COC3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H23N3O2/c1-16-4-3-5-19(12-16)24-11-10-23(14-17(24)2)21(25)15-26-20-8-6-18(13-22)7-9-20/h3-9,12,17H,10-11,14-15H2,1-2H3/t17-/m0/s1