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

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-N-(3-oxidanylpropyl)-9H-pyrido[3,4-b]indole-3-carboxamide Openeye Name: 1-(1,3-benzodioxol-5-yl)-N-(3-hydroxypropyl)-9H-pyrido[3,4-b]indole-3-carboxamide CAS Name: 1-(1,3-benzodioxol-5-yl)-N-(3-hydroxypropyl)-9H-pyrido[3,4-b]indole-3-carboxamide IUPAC Name: 1-(1,3-benzodioxol-5-yl)-N-(3-hydroxypropyl)-9H-pyrido[3,4-b]indole-3-carboxamide Traditional Name: 1-(1,3-benzodioxol-5-yl)-N-(3-hydroxypropyl)-9H-$b-carboline-3-carboxamide Formula: C22H19N3O4 MolecularWeight: 389.40396

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=C4C(=CC(=N3)C(=O)NCCCO)C5=CC=CC=C5N4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=C4C(=CC(=N3)C(=O)NCCCO)C5=CC=CC=C5N4

InChI

InChI=1S/C22H19N3O4/c26-9-3-8-23-22(27)17-11-15-14-4-1-2-5-16(14)24-21(15)20(25-17)13-6-7-18-19(10-13)29-12-28-18/h1-2,4-7,10-11,24,26H,3,8-9,12H2,(H,23,27)