7-fluoranyl-2-hexyl-4-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c][1,5]benzodiazepine

Systemtic Name: 7-fluoranyl-2-hexyl-4-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c][1,5]benzodiazepine Openeye Name: 7-fluoro-2-hexyl-4-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c][1,5]benzodiazepine CAS Name: 7-fluoro-2-hexyl-4-(4-methyl-1-piperazinyl)-1H-pyrazolo[4,3-c][1,5]benzodiazepine IUPAC Name: 7-fluoro-2-hexyl-4-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c][1,5]benzodiazepine Traditional Name: 7-fluoro-2-hexyl-4-(4-methylpiperazino)-1H-pyrazolo[4,3-c][1,5]benzodiazepine Formula: C21H29FN6 MolecularWeight: 384.493563

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C=C2C(=NC3=C(C=C(C=C3)F)N=C2N4CCN(CC4)C)N1

Isomeric SMILES

CCCCCCN1C=C2C(=NC3=C(C=C(C=C3)F)N=C2N4CCN(CC4)C)N1

InChI

InChI=1S/C21H29FN6/c1-3-4-5-6-9-28-15-17-20(25-28)23-18-8-7-16(22)14-19(18)24-21(17)27-12-10-26(2)11-13-27/h7-8,14-15H,3-6,9-13H2,1-2H3,(H,23,25)