1-(1,3-benzodioxol-5-yl)-N-(2-oxidanyl-2-phenyl-ethyl)-9H-pyrido[3,4-b]indole-3-carboxamide

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-N-(2-oxidanyl-2-phenyl-ethyl)-9H-pyrido[3,4-b]indole-3-carboxamide Openeye Name: 1-(1,3-benzodioxol-5-yl)-N-(2-hydroxy-2-phenyl-ethyl)-9H-pyrido[3,4-b]indole-3-carboxamide CAS Name: 1-(1,3-benzodioxol-5-yl)-N-(2-hydroxy-2-phenylethyl)-9H-pyrido[3,4-b]indole-3-carboxamide IUPAC Name: 1-(1,3-benzodioxol-5-yl)-N-(2-hydroxy-2-phenylethyl)-9H-pyrido[3,4-b]indole-3-carboxamide Traditional Name: 1-(1,3-benzodioxol-5-yl)-N-(2-hydroxy-2-phenyl-ethyl)-9H-$b-carboline-3-carboxamide Formula: C27H21N3O4 MolecularWeight: 451.47334

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=C4C(=CC(=N3)C(=O)NCC(C5=CC=CC=C5)O)C6=CC=CC=C6N4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=C4C(=CC(=N3)C(=O)NCC(C5=CC=CC=C5)O)C6=CC=CC=C6N4

InChI

InChI=1S/C27H21N3O4/c31-22(16-6-2-1-3-7-16)14-28-27(32)21-13-19-18-8-4-5-9-20(18)29-26(19)25(30-21)17-10-11-23-24(12-17)34-15-33-23/h1-13,22,29,31H,14-15H2,(H,28,32)