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

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-N-(3-butoxypropyl)-9H-pyrido[3,4-b]indole-3-carboxamide Openeye Name: 1-(1,3-benzodioxol-5-yl)-N-(3-butoxypropyl)-9H-pyrido[3,4-b]indole-3-carboxamide CAS Name: 1-(1,3-benzodioxol-5-yl)-N-(3-butoxypropyl)-9H-pyrido[3,4-b]indole-3-carboxamide IUPAC Name: 1-(1,3-benzodioxol-5-yl)-N-(3-butoxypropyl)-9H-pyrido[3,4-b]indole-3-carboxamide Traditional Name: 1-(1,3-benzodioxol-5-yl)-N-(3-butoxypropyl)-9H-$b-carboline-3-carboxamide Formula: C26H27N3O4 MolecularWeight: 445.51028

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCCCNC(=O)C1=NC(=C2C(=C1)C3=CC=CC=C3N2)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCCCOCCCNC(=O)C1=NC(=C2C(=C1)C3=CC=CC=C3N2)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H27N3O4/c1-2-3-12-31-13-6-11-27-26(30)21-15-19-18-7-4-5-8-20(18)28-25(19)24(29-21)17-9-10-22-23(14-17)33-16-32-22/h4-5,7-10,14-15,28H,2-3,6,11-13,16H2,1H3,(H,27,30)