6-[4-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-oxidanyl-propyl]piperazin-1-yl]pyridine-3-carbonitrile

Systemtic Name: 6-[4-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-oxidanyl-propyl]piperazin-1-yl]pyridine-3-carbonitrile Openeye Name: 6-[4-[3-(1,3-dioxoisoindolin-2-yl)-2-hydroxy-propyl]piperazin-1-yl]pyridine-3-carbonitrile CAS Name: 6-[4-[3-(1,3-dioxo-2-isoindolyl)-2-hydroxypropyl]-1-piperazinyl]-3-pyridinecarbonitrile IUPAC Name: 6-[4-[3-(1,3-dioxoisoindol-2-yl)-2-hydroxypropyl]piperazin-1-yl]pyridine-3-carbonitrile Traditional Name: 6-[4-(2-hydroxy-3-phthalimido-propyl)piperazino]nicotinonitrile Formula: C21H21N5O3 MolecularWeight: 391.42314

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(CN2C(=O)C3=CC=CC=C3C2=O)O)C4=NC=C(C=C4)C#N

Isomeric SMILES

C1CN(CCN1CC(CN2C(=O)C3=CC=CC=C3C2=O)O)C4=NC=C(C=C4)C#N

InChI

InChI=1S/C21H21N5O3/c22-11-15-5-6-19(23-12-15)25-9-7-24(8-10-25)13-16(27)14-26-20(28)17-3-1-2-4-18(17)21(26)29/h1-6,12,16,27H,7-10,13-14H2