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

Systemtic Name: N-[2-(4-chlorophenyl)-5-methyl-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]pyrrol-1-yl]pyridine-4-carboxamide Openeye Name: N-[2-(4-chlorophenyl)-5-methyl-3-[[4-(2-pyridyl)piperazin-1-yl]methyl]pyrrol-1-yl]pyridine-4-carboxamide CAS Name: N-[2-(4-chlorophenyl)-5-methyl-3-[[4-(2-pyridinyl)-1-piperazinyl]methyl]-1-pyrrolyl]-4-pyridinecarboxamide IUPAC Name: N-[2-(4-chlorophenyl)-5-methyl-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]pyrrol-1-yl]pyridine-4-carboxamide Traditional Name: N-[2-(4-chlorophenyl)-5-methyl-3-[[4-(2-pyridyl)piperazino]methyl]pyrrol-1-yl]isonicotinamide Formula: C27H27ClN6O MolecularWeight: 486.99588

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H27ClN6O/c1-20-18-23(19-32-14-16-33(17-15-32)25-4-2-3-11-30-25)26(21-5-7-24(28)8-6-21)34(20)31-27(35)22-9-12-29-13-10-22/h2-13,18H,14-17,19H2,1H3,(H,31,35)