4-azanyl-9-(3-fluorophenyl)-N-phenethyl-pyrimido[4,5-b]indole-2-carboxamide

Systemtic Name: 4-azanyl-9-(3-fluorophenyl)-N-phenethyl-pyrimido[4,5-b]indole-2-carboxamide Openeye Name: 4-amino-9-(3-fluorophenyl)-N-phenethyl-pyrimido[4,5-b]indole-2-carboxamide CAS Name: 4-amino-9-(3-fluorophenyl)-N-phenethyl-2-pyrimido[4,5-b]indolecarboxamide IUPAC Name: 4-amino-9-(3-fluorophenyl)-N-phenethylpyrimido[4,5-b]indole-2-carboxamide Traditional Name: 4-amino-9-(3-fluorophenyl)-N-phenethyl-pyrimid[4,5-b]indole-2-carboxamide Formula: C25H20FN5O MolecularWeight: 425.457603

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)C2=NC3=C(C4=CC=CC=C4N3C5=CC(=CC=C5)F)C(=N2)N

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)C2=NC3=C(C4=CC=CC=C4N3C5=CC(=CC=C5)F)C(=N2)N

InChI

InChI=1S/C25H20FN5O/c26-17-9-6-10-18(15-17)31-20-12-5-4-11-19(20)21-22(27)29-23(30-24(21)31)25(32)28-14-13-16-7-2-1-3-8-16/h1-12,15H,13-14H2,(H,28,32)(H2,27,29,30)