N-[3-cyano-4,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-2-yl]-2-(4-phenylpiperazin-1-yl)ethanamide

Systemtic Name: N-[3-cyano-4,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-2-yl]-2-(4-phenylpiperazin-1-yl)ethanamide Openeye Name: N-[3-cyano-4,5-dimethyl-1-[[(2R)-tetrahydrofuran-2-yl]methyl]pyrrol-2-yl]-2-(4-phenylpiperazin-1-yl)acetamide CAS Name: N-[3-cyano-4,5-dimethyl-1-[[(2R)-2-oxolanyl]methyl]-2-pyrrolyl]-2-(4-phenyl-1-piperazinyl)acetamide IUPAC Name: N-[3-cyano-4,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-2-yl]-2-(4-phenylpiperazin-1-yl)acetamide Traditional Name: N-[3-cyano-4,5-dimethyl-1-[[(2R)-tetrahydrofuran-2-yl]methyl]pyrrol-2-yl]-2-(4-phenylpiperazino)acetamide Formula: C24H31N5O2 MolecularWeight: 421.53524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)CN2CCN(CC2)C3=CC=CC=C3)CC4CCCO4)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)CN2CCN(CC2)C3=CC=CC=C3)C[C@H]4CCCO4)C

InChI

InChI=1S/C24H31N5O2/c1-18-19(2)29(16-21-9-6-14-31-21)24(22(18)15-25)26-23(30)17-27-10-12-28(13-11-27)20-7-4-3-5-8-20/h3-5,7-8,21H,6,9-14,16-17H2,1-2H3,(H,26,30)/t21-/m1/s1