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

Systemtic Name: N-[2-methyl-5-phenyl-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]pyrrol-1-yl]pyridine-4-carboxamide Openeye Name: N-[2-methyl-5-phenyl-3-[[4-(2-pyridyl)piperazin-1-yl]methyl]pyrrol-1-yl]pyridine-4-carboxamide CAS Name: N-[2-methyl-5-phenyl-3-[[4-(2-pyridinyl)-1-piperazinyl]methyl]-1-pyrrolyl]-4-pyridinecarboxamide IUPAC Name: N-[2-methyl-5-phenyl-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]pyrrol-1-yl]pyridine-4-carboxamide Traditional Name: N-[2-methyl-5-phenyl-3-[[4-(2-pyridyl)piperazino]methyl]pyrrol-1-yl]isonicotinamide Formula: C27H28N6O MolecularWeight: 452.55082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28N6O/c1-21-24(20-31-15-17-32(18-16-31)26-9-5-6-12-29-26)19-25(22-7-3-2-4-8-22)33(21)30-27(34)23-10-13-28-14-11-23/h2-14,19H,15-18,20H2,1H3,(H,30,34)