N-(pyridin-3-ylmethyl)-2-(3,4,5-trimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-4-amine

Systemtic Name: N-(pyridin-3-ylmethyl)-2-(3,4,5-trimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-4-amine Openeye Name: N-(3-pyridylmethyl)-2-(3,4,5-trimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-4-amine CAS Name: N-(3-pyridinylmethyl)-2-(3,4,5-trimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-4-amine IUPAC Name: N-(pyridin-3-ylmethyl)-2-(3,4,5-trimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-4-amine Traditional Name: 3-pyridylmethyl-[2-(3,4,5-trimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amine Formula: C22H22N4O3 MolecularWeight: 390.43508

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=CC3=C(C=CN=C3N2)NCC4=CN=CC=C4

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=CC3=C(C=CN=C3N2)NCC4=CN=CC=C4

InChI

InChI=1S/C22H22N4O3/c1-27-19-9-15(10-20(28-2)21(19)29-3)18-11-16-17(6-8-24-22(16)26-18)25-13-14-5-4-7-23-12-14/h4-12H,13H2,1-3H3,(H2,24,25,26)