1-(2,4-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)-9H-pyrido[3,4-b]indole-3-carboxamide

Systemtic Name: 1-(2,4-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)-9H-pyrido[3,4-b]indole-3-carboxamide Openeye Name: 1-(2,4-dimethoxyphenyl)-N-(2-thienylmethyl)-9H-pyrido[3,4-b]indole-3-carboxamide CAS Name: 1-(2,4-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)-9H-pyrido[3,4-b]indole-3-carboxamide IUPAC Name: 1-(2,4-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)-9H-pyrido[3,4-b]indole-3-carboxamide Traditional Name: 1-(2,4-dimethoxyphenyl)-N-(2-thenyl)-9H-$b-carboline-3-carboxamide Formula: C25H21N3O3S MolecularWeight: 443.51754

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=C3C(=CC(=N2)C(=O)NCC4=CC=CS4)C5=CC=CC=C5N3)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C2=C3C(=CC(=N2)C(=O)NCC4=CC=CS4)C5=CC=CC=C5N3)OC

InChI

InChI=1S/C25H21N3O3S/c1-30-15-9-10-18(22(12-15)31-2)23-24-19(17-7-3-4-8-20(17)27-24)13-21(28-23)25(29)26-14-16-6-5-11-32-16/h3-13,27H,14H2,1-2H3,(H,26,29)