2-[4-(2-chlorophenyl)carbonylpiperazin-1-ium-1-yl]-N-(3-cyano-1-cyclopentyl-4,5-dimethyl-pyrrol-2-yl)ethanamide

Systemtic Name: 2-[4-(2-chlorophenyl)carbonylpiperazin-1-ium-1-yl]-N-(3-cyano-1-cyclopentyl-4,5-dimethyl-pyrrol-2-yl)ethanamide Openeye Name: 2-[4-(2-chlorobenzoyl)piperazin-1-ium-1-yl]-N-(3-cyano-1-cyclopentyl-4,5-dimethyl-pyrrol-2-yl)acetamide CAS Name: 2-[4-[(2-chlorophenyl)-oxomethyl]-1-piperazin-1-iumyl]-N-(3-cyano-1-cyclopentyl-4,5-dimethyl-2-pyrrolyl)acetamide IUPAC Name: 2-[4-(2-chlorobenzoyl)piperazin-1-ium-1-yl]-N-(3-cyano-1-cyclopentyl-4,5-dimethylpyrrol-2-yl)acetamide Traditional Name: 2-[4-(2-chlorobenzoyl)piperazin-1-ium-1-yl]-N-(3-cyano-1-cyclopentyl-4,5-dimethyl-pyrrol-2-yl)acetamide Formula: C25H31ClN5O2+ MolecularWeight: 468.99894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3Cl)C4CCCC4)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3Cl)C4CCCC4)C

InChI

InChI=1S/C25H30ClN5O2/c1-17-18(2)31(19-7-3-4-8-19)24(21(17)15-27)28-23(32)16-29-11-13-30(14-12-29)25(33)20-9-5-6-10-22(20)26/h5-6,9-10,19H,3-4,7-8,11-14,16H2,1-2H3,(H,28,32)/p+1