3-[4-[1-(2-hydroxyethyl)-2-phenyl-pyrrol-3-yl]carbonylpiperazin-1-yl]benzenecarbonitrile

Systemtic Name: 3-[4-[1-(2-hydroxyethyl)-2-phenyl-pyrrol-3-yl]carbonylpiperazin-1-yl]benzenecarbonitrile Openeye Name: 3-[4-[1-(2-hydroxyethyl)-2-phenyl-pyrrole-3-carbonyl]piperazin-1-yl]benzonitrile CAS Name: 3-[4-[[1-(2-hydroxyethyl)-2-phenyl-3-pyrrolyl]-oxomethyl]-1-piperazinyl]benzonitrile IUPAC Name: 3-[4-[1-(2-hydroxyethyl)-2-phenylpyrrole-3-carbonyl]piperazin-1-yl]benzonitrile Traditional Name: 3-[4-[1-(2-hydroxyethyl)-2-phenyl-pyrrole-3-carbonyl]piperazino]benzonitrile Formula: C24H24N4O2 MolecularWeight: 400.47296

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC(=C2)C#N)C(=O)C3=C(N(C=C3)CCO)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=CC=CC(=C2)C#N)C(=O)C3=C(N(C=C3)CCO)C4=CC=CC=C4

InChI

InChI=1S/C24H24N4O2/c25-18-19-5-4-8-21(17-19)26-11-13-28(14-12-26)24(30)22-9-10-27(15-16-29)23(22)20-6-2-1-3-7-20/h1-10,17,29H,11-16H2