(2S)-1-[2-[[4-[1,3-bis(oxidanylidene)isoindol-2-yl]cyclohexyl]amino]ethanoyl]pyrrolidine-2-carbonitrile

Systemtic Name: (2S)-1-[2-[[4-[1,3-bis(oxidanylidene)isoindol-2-yl]cyclohexyl]amino]ethanoyl]pyrrolidine-2-carbonitrile Openeye Name: (2S)-1-[2-[[4-(1,3-dioxoisoindolin-2-yl)cyclohexyl]amino]acetyl]pyrrolidine-2-carbonitrile CAS Name: (2S)-1-[2-[[4-(1,3-dioxo-2-isoindolyl)cyclohexyl]amino]-1-oxoethyl]-2-pyrrolidinecarbonitrile IUPAC Name: (2S)-1-[2-[[4-(1,3-dioxoisoindol-2-yl)cyclohexyl]amino]acetyl]pyrrolidine-2-carbonitrile Traditional Name: (2S)-1-[2-[(4-phthalimidocyclohexyl)amino]acetyl]pyrrolidine-2-carbonitrile Formula: C21H24N4O3 MolecularWeight: 380.44026

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CNC2CCC(CC2)N3C(=O)C4=CC=CC=C4C3=O)C#N

Isomeric SMILES

C1C[C@H](N(C1)C(=O)CNC2CCC(CC2)N3C(=O)C4=CC=CC=C4C3=O)C#N

InChI

InChI=1S/C21H24N4O3/c22-12-16-4-3-11-24(16)19(26)13-23-14-7-9-15(10-8-14)25-20(27)17-5-1-2-6-18(17)21(25)28/h1-2,5-6,14-16,23H,3-4,7-11,13H2/t14?,15?,16-/m0/s1