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

Systemtic Name: 1-(3-bromophenyl)-2-[4-(phenylmethyl)piperazin-1-yl]carbonyl-pyrrole-3-carbonitrile Openeye Name: 2-(4-benzylpiperazine-1-carbonyl)-1-(3-bromophenyl)pyrrole-3-carbonitrile CAS Name: 1-(3-bromophenyl)-2-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]-3-pyrrolecarbonitrile IUPAC Name: 2-(4-benzylpiperazine-1-carbonyl)-1-(3-bromophenyl)pyrrole-3-carbonitrile Traditional Name: 2-(4-benzylpiperazine-1-carbonyl)-1-(3-bromophenyl)pyrrole-3-carbonitrile Formula: C23H21BrN4O MolecularWeight: 449.34304

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=C(C=CN3C4=CC(=CC=C4)Br)C#N

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=C(C=CN3C4=CC(=CC=C4)Br)C#N

InChI

InChI=1S/C23H21BrN4O/c24-20-7-4-8-21(15-20)28-10-9-19(16-25)22(28)23(29)27-13-11-26(12-14-27)17-18-5-2-1-3-6-18/h1-10,15H,11-14,17H2