1-[1,3-bis(oxidanylidene)-4-(2-oxidanylpropyl)isoindol-5-yl]-4-phenyl-piperidine-4-carbonitrile

Systemtic Name: 1-[1,3-bis(oxidanylidene)-4-(2-oxidanylpropyl)isoindol-5-yl]-4-phenyl-piperidine-4-carbonitrile Openeye Name: 1-[4-(2-hydroxypropyl)-1,3-dioxo-isoindolin-5-yl]-4-phenyl-piperidine-4-carbonitrile CAS Name: 1-[4-(2-hydroxypropyl)-1,3-dioxo-5-isoindolyl]-4-phenyl-4-piperidinecarbonitrile IUPAC Name: 1-[4-(2-hydroxypropyl)-1,3-dioxoisoindol-5-yl]-4-phenylpiperidine-4-carbonitrile Traditional Name: 1-[4-(2-hydroxypropyl)-1,3-diketo-isoindolin-5-yl]-4-phenyl-isonipecotonitrile Formula: C23H23N3O3 MolecularWeight: 389.44702

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=C(C=CC2=C1C(=O)NC2=O)N3CCC(CC3)(C#N)C4=CC=CC=C4)O

Isomeric SMILES

CC(CC1=C(C=CC2=C1C(=O)NC2=O)N3CCC(CC3)(C#N)C4=CC=CC=C4)O

InChI

InChI=1S/C23H23N3O3/c1-15(27)13-18-19(8-7-17-20(18)22(29)25-21(17)28)26-11-9-23(14-24,10-12-26)16-5-3-2-4-6-16/h2-8,15,27H,9-13H2,1H3,(H,25,28,29)