1-(3-bromophenyl)-N-[(4-fluorophenyl)methyl]-9H-pyrido[3,4-b]indole-3-carboxamide

Systemtic Name: 1-(3-bromophenyl)-N-[(4-fluorophenyl)methyl]-9H-pyrido[3,4-b]indole-3-carboxamide Openeye Name: 1-(3-bromophenyl)-N-[(4-fluorophenyl)methyl]-9H-pyrido[3,4-b]indole-3-carboxamide CAS Name: 1-(3-bromophenyl)-N-[(4-fluorophenyl)methyl]-9H-pyrido[3,4-b]indole-3-carboxamide IUPAC Name: 1-(3-bromophenyl)-N-[(4-fluorophenyl)methyl]-9H-pyrido[3,4-b]indole-3-carboxamide Traditional Name: 1-(3-bromophenyl)-N-(4-fluorobenzyl)-9H-$b-carboline-3-carboxamide Formula: C25H17BrFN3O MolecularWeight: 474.324383

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=CC(=NC(=C3N2)C4=CC(=CC=C4)Br)C(=O)NCC5=CC=C(C=C5)F

Isomeric SMILES

C1=CC=C2C(=C1)C3=CC(=NC(=C3N2)C4=CC(=CC=C4)Br)C(=O)NCC5=CC=C(C=C5)F

InChI

InChI=1S/C25H17BrFN3O/c26-17-5-3-4-16(12-17)23-24-20(19-6-1-2-7-21(19)29-24)13-22(30-23)25(31)28-14-15-8-10-18(27)11-9-15/h1-13,29H,14H2,(H,28,31)