4-[2,5-dimethyl-1-(phenylmethyl)pyrrol-3-yl]carbonyl-N-phenyl-piperazine-1-carboxamide

Systemtic Name: 4-[2,5-dimethyl-1-(phenylmethyl)pyrrol-3-yl]carbonyl-N-phenyl-piperazine-1-carboxamide Openeye Name: 4-(1-benzyl-2,5-dimethyl-pyrrole-3-carbonyl)-N-phenyl-piperazine-1-carboxamide CAS Name: 4-[[2,5-dimethyl-1-(phenylmethyl)-3-pyrrolyl]-oxomethyl]-N-phenyl-1-piperazinecarboxamide IUPAC Name: 4-(1-benzyl-2,5-dimethylpyrrole-3-carbonyl)-N-phenylpiperazine-1-carboxamide Traditional Name: 4-(1-benzyl-2,5-dimethyl-pyrrole-3-carbonyl)-N-phenyl-piperazine-1-carboxamide Formula: C25H28N4O2 MolecularWeight: 416.51542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)N3CCN(CC3)C(=O)NC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)N3CCN(CC3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C25H28N4O2/c1-19-17-23(20(2)29(19)18-21-9-5-3-6-10-21)24(30)27-13-15-28(16-14-27)25(31)26-22-11-7-4-8-12-22/h3-12,17H,13-16,18H2,1-2H3,(H,26,31)