N-(3-butoxypropyl)-1-(2,5-dimethoxyphenyl)-9H-pyrido[3,4-b]indole-3-carboxamide

Systemtic Name: N-(3-butoxypropyl)-1-(2,5-dimethoxyphenyl)-9H-pyrido[3,4-b]indole-3-carboxamide Openeye Name: N-(3-butoxypropyl)-1-(2,5-dimethoxyphenyl)-9H-pyrido[3,4-b]indole-3-carboxamide CAS Name: N-(3-butoxypropyl)-1-(2,5-dimethoxyphenyl)-9H-pyrido[3,4-b]indole-3-carboxamide IUPAC Name: N-(3-butoxypropyl)-1-(2,5-dimethoxyphenyl)-9H-pyrido[3,4-b]indole-3-carboxamide Traditional Name: N-(3-butoxypropyl)-1-(2,5-dimethoxyphenyl)-9H-$b-carboline-3-carboxamide Formula: C27H31N3O4 MolecularWeight: 461.55274

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCCCNC(=O)C1=NC(=C2C(=C1)C3=CC=CC=C3N2)C4=C(C=CC(=C4)OC)OC

Isomeric SMILES

CCCCOCCCNC(=O)C1=NC(=C2C(=C1)C3=CC=CC=C3N2)C4=C(C=CC(=C4)OC)OC

InChI

InChI=1S/C27H31N3O4/c1-4-5-14-34-15-8-13-28-27(31)23-17-20-19-9-6-7-10-22(19)29-25(20)26(30-23)21-16-18(32-2)11-12-24(21)33-3/h6-7,9-12,16-17,29H,4-5,8,13-15H2,1-3H3,(H,28,31)