4-[[4-[(7-chloranyl-1,3-benzodioxol-5-yl)carbonyl]piperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[(7-chloranyl-1,3-benzodioxol-5-yl)carbonyl]piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(7-chloro-1,3-benzodioxole-5-carbonyl)piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(7-chloro-1,3-benzodioxol-5-yl)-oxomethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-(7-chloro-1,3-benzodioxole-5-carbonyl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(7-chloropiperonyloyl)piperazino]methyl]benzonitrile Formula: C20H18ClN3O3 MolecularWeight: 383.82822

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)C3=CC4=C(C(=C3)Cl)OCO4

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)C3=CC4=C(C(=C3)Cl)OCO4

InChI

InChI=1S/C20H18ClN3O3/c21-17-9-16(10-18-19(17)27-13-26-18)20(25)24-7-5-23(6-8-24)12-15-3-1-14(11-22)2-4-15/h1-4,9-10H,5-8,12-13H2