N-[5-(4-chlorophenyl)-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-methyl-pyrrol-1-yl]pyrazine-2-carboxamide

Systemtic Name: N-[5-(4-chlorophenyl)-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-methyl-pyrrol-1-yl]pyrazine-2-carboxamide Openeye Name: N-[5-(4-chlorophenyl)-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-methyl-pyrrol-1-yl]pyrazine-2-carboxamide CAS Name: N-[5-(4-chlorophenyl)-3-[[4-(2-methoxyphenyl)-1-piperazinyl]methyl]-2-methyl-1-pyrrolyl]-2-pyrazinecarboxamide IUPAC Name: N-[5-(4-chlorophenyl)-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-methylpyrrol-1-yl]pyrazine-2-carboxamide Traditional Name: N-[5-(4-chlorophenyl)-3-[[4-(2-methoxyphenyl)piperazino]methyl]-2-methyl-pyrrol-1-yl]pyrazinamide Formula: C28H29ClN6O2 MolecularWeight: 517.02186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(N1NC(=O)C2=NC=CN=C2)C3=CC=C(C=C3)Cl)CN4CCN(CC4)C5=CC=CC=C5OC

Isomeric SMILES

CC1=C(C=C(N1NC(=O)C2=NC=CN=C2)C3=CC=C(C=C3)Cl)CN4CCN(CC4)C5=CC=CC=C5OC

InChI

InChI=1S/C28H29ClN6O2/c1-20-22(19-33-13-15-34(16-14-33)25-5-3-4-6-27(25)37-2)17-26(21-7-9-23(29)10-8-21)35(20)32-28(36)24-18-30-11-12-31-24/h3-12,17-18H,13-16,19H2,1-2H3,(H,32,36)