2-[6-(4-chlorophenyl)-5-oxidanylidene-7H-pyrrolo[3,4-b]pyridin-7-yl]-N,N-dihexyl-ethanamide

Systemtic Name: 2-[6-(4-chlorophenyl)-5-oxidanylidene-7H-pyrrolo[3,4-b]pyridin-7-yl]-N,N-dihexyl-ethanamide Openeye Name: 2-[6-(4-chlorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]-N,N-dihexyl-acetamide CAS Name: 2-[6-(4-chlorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]-N,N-dihexylacetamide IUPAC Name: 2-[6-(4-chlorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]-N,N-dihexylacetamide Traditional Name: 2-[6-(4-chlorophenyl)-5-keto-7H-pyrrolo[3,4-b]pyridin-7-yl]-N,N-dihexyl-acetamide Formula: C27H36ClN3O2 MolecularWeight: 470.04664

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(CCCCCC)C(=O)CC1C2=C(C=CC=N2)C(=O)N1C3=CC=C(C=C3)Cl

Isomeric SMILES

CCCCCCN(CCCCCC)C(=O)CC1C2=C(C=CC=N2)C(=O)N1C3=CC=C(C=C3)Cl

InChI

InChI=1S/C27H36ClN3O2/c1-3-5-7-9-18-30(19-10-8-6-4-2)25(32)20-24-26-23(12-11-17-29-26)27(33)31(24)22-15-13-21(28)14-16-22/h11-17,24H,3-10,18-20H2,1-2H3