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

Systemtic Name: 1-(3-bromophenyl)-2-[4-(diphenylmethyl)piperazin-1-yl]carbonyl-pyrrole-3-carbonitrile Openeye Name: 2-(4-benzhydrylpiperazine-1-carbonyl)-1-(3-bromophenyl)pyrrole-3-carbonitrile CAS Name: 1-(3-bromophenyl)-2-[[4-(diphenylmethyl)-1-piperazinyl]-oxomethyl]-3-pyrrolecarbonitrile IUPAC Name: 2-(4-benzhydrylpiperazine-1-carbonyl)-1-(3-bromophenyl)pyrrole-3-carbonitrile Traditional Name: 2-(4-benzhydrylpiperazine-1-carbonyl)-1-(3-bromophenyl)pyrrole-3-carbonitrile Formula: C29H25BrN4O MolecularWeight: 525.439

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=C(C=CN4C5=CC(=CC=C5)Br)C#N

Isomeric SMILES

C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=C(C=CN4C5=CC(=CC=C5)Br)C#N

InChI

InChI=1S/C29H25BrN4O/c30-25-12-7-13-26(20-25)34-15-14-24(21-31)28(34)29(35)33-18-16-32(17-19-33)27(22-8-3-1-4-9-22)23-10-5-2-6-11-23/h1-15,20,27H,16-19H2