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

Systemtic Name: N-[5-(4-chlorophenyl)-2-methyl-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]pyrrol-1-yl]pyrazine-2-carboxamide Openeye Name: N-[5-(4-chlorophenyl)-2-methyl-3-[[4-(2-pyridyl)piperazin-1-yl]methyl]pyrrol-1-yl]pyrazine-2-carboxamide CAS Name: N-[5-(4-chlorophenyl)-2-methyl-3-[[4-(2-pyridinyl)-1-piperazinyl]methyl]-1-pyrrolyl]-2-pyrazinecarboxamide IUPAC Name: N-[5-(4-chlorophenyl)-2-methyl-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]pyrrol-1-yl]pyrazine-2-carboxamide Traditional Name: N-[5-(4-chlorophenyl)-2-methyl-3-[[4-(2-pyridyl)piperazino]methyl]pyrrol-1-yl]pyrazinamide Formula: C26H26ClN7O MolecularWeight: 487.98394

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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=N5

Isomeric SMILES

CC1=C(C=C(N1NC(=O)C2=NC=CN=C2)C3=CC=C(C=C3)Cl)CN4CCN(CC4)C5=CC=CC=N5

InChI

InChI=1S/C26H26ClN7O/c1-19-21(18-32-12-14-33(15-13-32)25-4-2-3-9-30-25)16-24(20-5-7-22(27)8-6-20)34(19)31-26(35)23-17-28-10-11-29-23/h2-11,16-17H,12-15,18H2,1H3,(H,31,35)