2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl-1-(3-chloranyl-4-fluoranyl-phenyl)pyrrole-3-carbonitrile

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl-1-(3-chloranyl-4-fluoranyl-phenyl)pyrrole-3-carbonitrile Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-1-(3-chloro-4-fluoro-phenyl)pyrrole-3-carbonitrile CAS Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-oxomethyl]-1-(3-chloro-4-fluorophenyl)-3-pyrrolecarbonitrile IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-1-(3-chloro-4-fluorophenyl)pyrrole-3-carbonitrile Traditional Name: 1-(3-chloro-4-fluoro-phenyl)-2-(4-piperonylpiperazine-1-carbonyl)pyrrole-3-carbonitrile Formula: C24H20ClFN4O3 MolecularWeight: 466.892003

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=C(C=CN4C5=CC(=C(C=C5)F)Cl)C#N

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=C(C=CN4C5=CC(=C(C=C5)F)Cl)C#N

InChI

InChI=1S/C24H20ClFN4O3/c25-19-12-18(2-3-20(19)26)30-6-5-17(13-27)23(30)24(31)29-9-7-28(8-10-29)14-16-1-4-21-22(11-16)33-15-32-21/h1-6,11-12H,7-10,14-15H2