4-azanyl-9-[2-(2-fluorophenyl)ethyl]-N-phenethyl-pyrimido[4,5-b]indole-2-carboxamide

Systemtic Name: 4-azanyl-9-[2-(2-fluorophenyl)ethyl]-N-phenethyl-pyrimido[4,5-b]indole-2-carboxamide Openeye Name: 4-amino-9-[2-(2-fluorophenyl)ethyl]-N-phenethyl-pyrimido[4,5-b]indole-2-carboxamide CAS Name: 4-amino-9-[2-(2-fluorophenyl)ethyl]-N-phenethyl-2-pyrimido[4,5-b]indolecarboxamide IUPAC Name: 4-amino-9-[2-(2-fluorophenyl)ethyl]-N-phenethylpyrimido[4,5-b]indole-2-carboxamide Traditional Name: 4-amino-9-[2-(2-fluorophenyl)ethyl]-N-phenethyl-pyrimid[4,5-b]indole-2-carboxamide Formula: C27H24FN5O MolecularWeight: 453.510763

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)C2=NC3=C(C4=CC=CC=C4N3CCC5=CC=CC=C5F)C(=N2)N

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)C2=NC3=C(C4=CC=CC=C4N3CCC5=CC=CC=C5F)C(=N2)N

InChI

InChI=1S/C27H24FN5O/c28-21-12-6-4-10-19(21)15-17-33-22-13-7-5-11-20(22)23-24(29)31-25(32-26(23)33)27(34)30-16-14-18-8-2-1-3-9-18/h1-13H,14-17H2,(H,30,34)(H2,29,31,32)