6-[[2-(2-chlorophenyl)-5-(4-pentoxyphenyl)pyrrol-1-yl]methyl]pyridine-2,3-diamine

Systemtic Name: 6-[[2-(2-chlorophenyl)-5-(4-pentoxyphenyl)pyrrol-1-yl]methyl]pyridine-2,3-diamine Openeye Name: 6-[[2-(2-chlorophenyl)-5-(4-pentoxyphenyl)pyrrol-1-yl]methyl]pyridine-2,3-diamine CAS Name: 6-[[2-(2-chlorophenyl)-5-(4-pentoxyphenyl)-1-pyrrolyl]methyl]pyridine-2,3-diamine IUPAC Name: 6-[[2-(2-chlorophenyl)-5-(4-pentoxyphenyl)pyrrol-1-yl]methyl]pyridine-2,3-diamine Traditional Name: [2-amino-6-[[2-(4-amoxyphenyl)-5-(2-chlorophenyl)pyrrol-1-yl]methyl]-3-pyridyl]amine Formula: C27H29ClN4O MolecularWeight: 460.99836

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C2=CC=C(N2CC3=NC(=C(C=C3)N)N)C4=CC=CC=C4Cl

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C2=CC=C(N2CC3=NC(=C(C=C3)N)N)C4=CC=CC=C4Cl

InChI

InChI=1S/C27H29ClN4O/c1-2-3-6-17-33-21-12-9-19(10-13-21)25-15-16-26(22-7-4-5-8-23(22)28)32(25)18-20-11-14-24(29)27(30)31-20/h4-5,7-16H,2-3,6,17-18,29H2,1H3,(H2,30,31)