4-azanyl-N-(1,3-benzodioxol-5-ylmethyl)-9-(3-fluorophenyl)pyrimido[4,5-b]indole-2-carboxamide

Systemtic Name: 4-azanyl-N-(1,3-benzodioxol-5-ylmethyl)-9-(3-fluorophenyl)pyrimido[4,5-b]indole-2-carboxamide Openeye Name: 4-amino-N-(1,3-benzodioxol-5-ylmethyl)-9-(3-fluorophenyl)pyrimido[4,5-b]indole-2-carboxamide CAS Name: 4-amino-N-(1,3-benzodioxol-5-ylmethyl)-9-(3-fluorophenyl)-2-pyrimido[4,5-b]indolecarboxamide IUPAC Name: 4-amino-N-(1,3-benzodioxol-5-ylmethyl)-9-(3-fluorophenyl)pyrimido[4,5-b]indole-2-carboxamide Traditional Name: 4-amino-9-(3-fluorophenyl)-N-piperonyl-pyrimid[4,5-b]indole-2-carboxamide Formula: C25H18FN5O3 MolecularWeight: 455.440523

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=NC4=C(C5=CC=CC=C5N4C6=CC(=CC=C6)F)C(=N3)N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=NC4=C(C5=CC=CC=C5N4C6=CC(=CC=C6)F)C(=N3)N

InChI

InChI=1S/C25H18FN5O3/c26-15-4-3-5-16(11-15)31-18-7-2-1-6-17(18)21-22(27)29-23(30-24(21)31)25(32)28-12-14-8-9-19-20(10-14)34-13-33-19/h1-11H,12-13H2,(H,28,32)(H2,27,29,30)