N'-cyclopropyl-4-fluoranyl-1-oxaldehydoyl-2-[4-(phenylcarbonyl)piperazin-1-yl]indole-7-carboximidamide

Systemtic Name: N'-cyclopropyl-4-fluoranyl-1-oxaldehydoyl-2-[4-(phenylcarbonyl)piperazin-1-yl]indole-7-carboximidamide Openeye Name: 2-(4-benzoylpiperazin-1-yl)-N'-cyclopropyl-4-fluoro-1-oxaldehydoyl-indole-7-carboxamidine CAS Name: 2-(4-benzoyl-1-piperazinyl)-N'-cyclopropyl-4-fluoro-1-oxaldehydoyl-7-indolecarboximidamide IUPAC Name: 2-(4-benzoylpiperazin-1-yl)-N'-cyclopropyl-4-fluoro-1-oxaldehydoylindole-7-carboximidamide Traditional Name: 2-(4-benzoylpiperazino)-N'-cyclopropyl-4-fluoro-1-glyoxyloyl-indole-7-carboxamidine Formula: C25H24FN5O3 MolecularWeight: 461.488163

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N=C(C2=C3C(=C(C=C2)F)C=C(N3C(=O)C=O)N4CCN(CC4)C(=O)C5=CC=CC=C5)N

Isomeric SMILES

C1CC1N=C(C2=C3C(=C(C=C2)F)C=C(N3C(=O)C=O)N4CCN(CC4)C(=O)C5=CC=CC=C5)N

InChI

InChI=1S/C25H24FN5O3/c26-20-9-8-18(24(27)28-17-6-7-17)23-19(20)14-21(31(23)22(33)15-32)29-10-12-30(13-11-29)25(34)16-4-2-1-3-5-16/h1-5,8-9,14-15,17H,6-7,10-13H2,(H2,27,28)