4-[[4-[(5-chloranyl-3-methyl-1-benzofuran-2-yl)carbonyl]piperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[(5-chloranyl-3-methyl-1-benzofuran-2-yl)carbonyl]piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(5-chloro-3-methyl-benzofuran-2-carbonyl)piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(5-chloro-3-methyl-2-benzofuranyl)-oxomethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-(5-chloro-3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(5-chloro-3-methyl-benzofuran-2-carbonyl)piperazino]methyl]benzonitrile Formula: C22H20ClN3O2 MolecularWeight: 393.8661

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)Cl)C(=O)N3CCN(CC3)CC4=CC=C(C=C4)C#N

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)Cl)C(=O)N3CCN(CC3)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C22H20ClN3O2/c1-15-19-12-18(23)6-7-20(19)28-21(15)22(27)26-10-8-25(9-11-26)14-17-4-2-16(13-24)3-5-17/h2-7,12H,8-11,14H2,1H3