3-[4-[1-(hydroxymethyl)-4-phenyl-pyrrol-3-yl]carbonylpiperazin-1-yl]benzenecarbonitrile

Systemtic Name: 3-[4-[1-(hydroxymethyl)-4-phenyl-pyrrol-3-yl]carbonylpiperazin-1-yl]benzenecarbonitrile Openeye Name: 3-[4-[1-(hydroxymethyl)-4-phenyl-pyrrole-3-carbonyl]piperazin-1-yl]benzonitrile CAS Name: 3-[4-[[1-(hydroxymethyl)-4-phenyl-3-pyrrolyl]-oxomethyl]-1-piperazinyl]benzonitrile IUPAC Name: 3-[4-[1-(hydroxymethyl)-4-phenylpyrrole-3-carbonyl]piperazin-1-yl]benzonitrile Traditional Name: 3-[4-(1-methylol-4-phenyl-pyrrole-3-carbonyl)piperazino]benzonitrile Formula: C23H22N4O2 MolecularWeight: 386.44638

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC(=C2)C#N)C(=O)C3=CN(C=C3C4=CC=CC=C4)CO

Isomeric SMILES

C1CN(CCN1C2=CC=CC(=C2)C#N)C(=O)C3=CN(C=C3C4=CC=CC=C4)CO

InChI

InChI=1S/C23H22N4O2/c24-14-18-5-4-8-20(13-18)26-9-11-27(12-10-26)23(29)22-16-25(17-28)15-21(22)19-6-2-1-3-7-19/h1-8,13,15-16,28H,9-12,17H2