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

Systemtic Name: 4-[[4-[(2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)carbonyl]piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(2-methyl-2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)-oxomethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-(2-methyl-2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(2-methyl-2,3-dihydro-1,4-benzodioxin-3-carbonyl)piperazino]methyl]benzonitrile Formula: C22H23N3O3 MolecularWeight: 377.43632

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(OC2=CC=CC=C2O1)C(=O)N3CCN(CC3)CC4=CC=C(C=C4)C#N

Isomeric SMILES

CC1C(OC2=CC=CC=C2O1)C(=O)N3CCN(CC3)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C22H23N3O3/c1-16-21(28-20-5-3-2-4-19(20)27-16)22(26)25-12-10-24(11-13-25)15-18-8-6-17(14-23)7-9-18/h2-9,16,21H,10-13,15H2,1H3