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

Systemtic Name: N-[5-(4-chlorophenyl)-3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2-methyl-pyrrol-1-yl]pyridine-4-carboxamide Openeye Name: N-[5-(4-chlorophenyl)-3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2-methyl-pyrrol-1-yl]pyridine-4-carboxamide CAS Name: N-[5-(4-chlorophenyl)-3-[[4-(4-fluorophenyl)-1-piperazinyl]methyl]-2-methyl-1-pyrrolyl]-4-pyridinecarboxamide IUPAC Name: N-[5-(4-chlorophenyl)-3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2-methylpyrrol-1-yl]pyridine-4-carboxamide Traditional Name: N-[5-(4-chlorophenyl)-3-[[4-(4-fluorophenyl)piperazino]methyl]-2-methyl-pyrrol-1-yl]isonicotinamide Formula: C28H27ClFN5O MolecularWeight: 503.998283

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H27ClFN5O/c1-20-23(19-33-14-16-34(17-15-33)26-8-6-25(30)7-9-26)18-27(21-2-4-24(29)5-3-21)35(20)32-28(36)22-10-12-31-13-11-22/h2-13,18H,14-17,19H2,1H3,(H,32,36)