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

Systemtic Name: 1-[1,3-bis(oxidanylidene)-5-(2-oxidanylidenepropyl)isoindol-4-yl]-4-phenyl-piperidine-4-carbonitrile Openeye Name: 1-(5-acetonyl-1,3-dioxo-isoindolin-4-yl)-4-phenyl-piperidine-4-carbonitrile CAS Name: 1-[1,3-dioxo-5-(2-oxopropyl)-4-isoindolyl]-4-phenyl-4-piperidinecarbonitrile IUPAC Name: 1-[1,3-dioxo-5-(2-oxopropyl)isoindol-4-yl]-4-phenylpiperidine-4-carbonitrile Traditional Name: 1-(5-acetonyl-1,3-diketo-isoindolin-4-yl)-4-phenyl-isonipecotonitrile Formula: C23H21N3O3 MolecularWeight: 387.43114

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC1=C(C2=C(C=C1)C(=O)NC2=O)N3CCC(CC3)(C#N)C4=CC=CC=C4

Isomeric SMILES

CC(=O)CC1=C(C2=C(C=C1)C(=O)NC2=O)N3CCC(CC3)(C#N)C4=CC=CC=C4

InChI

InChI=1S/C23H21N3O3/c1-15(27)13-16-7-8-18-19(22(29)25-21(18)28)20(16)26-11-9-23(14-24,10-12-26)17-5-3-2-4-6-17/h2-8H,9-13H2,1H3,(H,25,28,29)