4-[[4-[(3S)-5-oxidanylidene-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]carbonylpiperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[(3S)-5-oxidanylidene-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]carbonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[(3S)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carbonyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[oxo-[(3S)-5-oxo-1-[(1R)-1-phenylethyl]-3-pyrrolidinyl]methyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[(3S)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carbonyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[(3S)-5-keto-1-[(1R)-1-phenylethyl]pyrrolidine-3-carbonyl]piperazino]methyl]benzonitrile Formula: C25H28N4O2 MolecularWeight: 416.51542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N2CC(CC2=O)C(=O)N3CCN(CC3)CC4=CC=C(C=C4)C#N

Isomeric SMILES

C[C@H](C1=CC=CC=C1)N2C[C@H](CC2=O)C(=O)N3CCN(CC3)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C25H28N4O2/c1-19(22-5-3-2-4-6-22)29-18-23(15-24(29)30)25(31)28-13-11-27(12-14-28)17-21-9-7-20(16-26)8-10-21/h2-10,19,23H,11-15,17-18H2,1H3/t19-,23+/m1/s1