4-[5-(4-chlorophenyl)-3-(2,6-dipropoxyphenyl)-1H-pyrrol-2-yl]pyridine

Systemtic Name: 4-[5-(4-chlorophenyl)-3-(2,6-dipropoxyphenyl)-1H-pyrrol-2-yl]pyridine Openeye Name: 4-[5-(4-chlorophenyl)-3-(2,6-dipropoxyphenyl)-1H-pyrrol-2-yl]pyridine CAS Name: 4-[5-(4-chlorophenyl)-3-(2,6-dipropoxyphenyl)-1H-pyrrol-2-yl]pyridine IUPAC Name: 4-[5-(4-chlorophenyl)-3-(2,6-dipropoxyphenyl)-1H-pyrrol-2-yl]pyridine Traditional Name: 4-[5-(4-chlorophenyl)-3-(2,6-dipropoxyphenyl)-1H-pyrrol-2-yl]pyridine Formula: C27H27ClN2O2 MolecularWeight: 446.96848

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C(=CC=C1)OCCC)C2=C(NC(=C2)C3=CC=C(C=C3)Cl)C4=CC=NC=C4

Isomeric SMILES

CCCOC1=C(C(=CC=C1)OCCC)C2=C(NC(=C2)C3=CC=C(C=C3)Cl)C4=CC=NC=C4

InChI

InChI=1S/C27H27ClN2O2/c1-3-16-31-24-6-5-7-25(32-17-4-2)26(24)22-18-23(19-8-10-21(28)11-9-19)30-27(22)20-12-14-29-15-13-20/h5-15,18,30H,3-4,16-17H2,1-2H3