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

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-N-[(4-methylphenyl)methyl]-9H-pyrido[3,4-b]indole-3-carboxamide Openeye Name: 1-(1,3-benzodioxol-5-yl)-N-(p-tolylmethyl)-9H-pyrido[3,4-b]indole-3-carboxamide CAS Name: 1-(1,3-benzodioxol-5-yl)-N-[(4-methylphenyl)methyl]-9H-pyrido[3,4-b]indole-3-carboxamide IUPAC Name: 1-(1,3-benzodioxol-5-yl)-N-[(4-methylphenyl)methyl]-9H-pyrido[3,4-b]indole-3-carboxamide Traditional Name: 1-(1,3-benzodioxol-5-yl)-N-(4-methylbenzyl)-9H-$b-carboline-3-carboxamide Formula: C27H21N3O3 MolecularWeight: 435.47394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C2=NC(=C3C(=C2)C4=CC=CC=C4N3)C5=CC6=C(C=C5)OCO6

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C2=NC(=C3C(=C2)C4=CC=CC=C4N3)C5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C27H21N3O3/c1-16-6-8-17(9-7-16)14-28-27(31)22-13-20-19-4-2-3-5-21(19)29-26(20)25(30-22)18-10-11-23-24(12-18)33-15-32-23/h2-13,29H,14-15H2,1H3,(H,28,31)