N-(pyridin-3-ylmethyl)-1-(3,4,5-trimethoxyphenyl)-9H-pyrido[3,4-b]indole-3-carboxamide

Systemtic Name: N-(pyridin-3-ylmethyl)-1-(3,4,5-trimethoxyphenyl)-9H-pyrido[3,4-b]indole-3-carboxamide Openeye Name: N-(3-pyridylmethyl)-1-(3,4,5-trimethoxyphenyl)-9H-pyrido[3,4-b]indole-3-carboxamide CAS Name: N-(3-pyridinylmethyl)-1-(3,4,5-trimethoxyphenyl)-9H-pyrido[3,4-b]indole-3-carboxamide IUPAC Name: N-(pyridin-3-ylmethyl)-1-(3,4,5-trimethoxyphenyl)-9H-pyrido[3,4-b]indole-3-carboxamide Traditional Name: N-(3-pyridylmethyl)-1-(3,4,5-trimethoxyphenyl)-9H-$b-carboline-3-carboxamide Formula: C27H24N4O4 MolecularWeight: 468.50386

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=C3C(=CC(=N2)C(=O)NCC4=CN=CC=C4)C5=CC=CC=C5N3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=C3C(=CC(=N2)C(=O)NCC4=CN=CC=C4)C5=CC=CC=C5N3

InChI

InChI=1S/C27H24N4O4/c1-33-22-11-17(12-23(34-2)26(22)35-3)24-25-19(18-8-4-5-9-20(18)30-25)13-21(31-24)27(32)29-15-16-7-6-10-28-14-16/h4-14,30H,15H2,1-3H3,(H,29,32)