1-(3-bromophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]carbonyl-pyrrole-3-carbonitrile

Systemtic Name: 1-(3-bromophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]carbonyl-pyrrole-3-carbonitrile Openeye Name: 1-(3-bromophenyl)-2-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyrrole-3-carbonitrile CAS Name: 1-(3-bromophenyl)-2-[[4-(2-fluorophenyl)-1-piperazinyl]-oxomethyl]-3-pyrrolecarbonitrile IUPAC Name: 1-(3-bromophenyl)-2-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyrrole-3-carbonitrile Traditional Name: 1-(3-bromophenyl)-2-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyrrole-3-carbonitrile Formula: C22H18BrFN4O MolecularWeight: 453.306923

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2F)C(=O)C3=C(C=CN3C4=CC(=CC=C4)Br)C#N

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2F)C(=O)C3=C(C=CN3C4=CC(=CC=C4)Br)C#N

InChI

InChI=1S/C22H18BrFN4O/c23-17-4-3-5-18(14-17)28-9-8-16(15-25)21(28)22(29)27-12-10-26(11-13-27)20-7-2-1-6-19(20)24/h1-9,14H,10-13H2