5-(4-chlorophenyl)-4-[4-(phenylmethyl)piperazin-1-yl]-1H-pyrrole-3-carbonitrile

Systemtic Name: 5-(4-chlorophenyl)-4-[4-(phenylmethyl)piperazin-1-yl]-1H-pyrrole-3-carbonitrile Openeye Name: 4-(4-benzylpiperazin-1-yl)-5-(4-chlorophenyl)-1H-pyrrole-3-carbonitrile CAS Name: 5-(4-chlorophenyl)-4-[4-(phenylmethyl)-1-piperazinyl]-1H-pyrrole-3-carbonitrile IUPAC Name: 4-(4-benzylpiperazin-1-yl)-5-(4-chlorophenyl)-1H-pyrrole-3-carbonitrile Traditional Name: 4-(4-benzylpiperazino)-5-(4-chlorophenyl)-1H-pyrrole-3-carbonitrile Formula: C22H21ClN4 MolecularWeight: 376.88194

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=C(NC=C3C#N)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=C(NC=C3C#N)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H21ClN4/c23-20-8-6-18(7-9-20)21-22(19(14-24)15-25-21)27-12-10-26(11-13-27)16-17-4-2-1-3-5-17/h1-9,15,25H,10-13,16H2