5-[2-[3-(3-oxidanylpropyl)phenyl]pyridin-4-yl]-2-piperazin-1-yl-1H-pyrrole-3-carbonitrile

Systemtic Name: 5-[2-[3-(3-oxidanylpropyl)phenyl]pyridin-4-yl]-2-piperazin-1-yl-1H-pyrrole-3-carbonitrile Openeye Name: 5-[2-[3-(3-hydroxypropyl)phenyl]-4-pyridyl]-2-piperazin-1-yl-1H-pyrrole-3-carbonitrile CAS Name: 5-[2-[3-(3-hydroxypropyl)phenyl]-4-pyridinyl]-2-(1-piperazinyl)-1H-pyrrole-3-carbonitrile IUPAC Name: 5-[2-[3-(3-hydroxypropyl)phenyl]pyridin-4-yl]-2-piperazin-1-yl-1H-pyrrole-3-carbonitrile Traditional Name: 5-[2-[3-(3-hydroxypropyl)phenyl]-4-pyridyl]-2-piperazino-1H-pyrrole-3-carbonitrile Formula: C23H25N5O MolecularWeight: 387.4775

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=C(C=C(N2)C3=CC(=NC=C3)C4=CC(=CC=C4)CCCO)C#N

Isomeric SMILES

C1CN(CCN1)C2=C(C=C(N2)C3=CC(=NC=C3)C4=CC(=CC=C4)CCCO)C#N

InChI

InChI=1S/C23H25N5O/c24-16-20-15-22(27-23(20)28-10-8-25-9-11-28)19-6-7-26-21(14-19)18-5-1-3-17(13-18)4-2-12-29/h1,3,5-7,13-15,25,27,29H,2,4,8-12H2