[3-fluoranyl-4-[3-[4-(2-methylpropyl)piperazin-1-yl]propoxy]phenyl]-(1-methyl-2,4-dihydropyrazolo[4,3-c][1,5]benzodiazepin-5-yl)methanone

Systemtic Name: [3-fluoranyl-4-[3-[4-(2-methylpropyl)piperazin-1-yl]propoxy]phenyl]-(1-methyl-2,4-dihydropyrazolo[4,3-c][1,5]benzodiazepin-5-yl)methanone Openeye Name: [3-fluoro-4-[3-(4-isobutylpiperazin-1-yl)propoxy]phenyl]-(1-methyl-2,4-dihydropyrazolo[4,3-c][1,5]benzodiazepin-5-yl)methanone CAS Name: [3-fluoro-4-[3-[4-(2-methylpropyl)-1-piperazinyl]propoxy]phenyl]-(1-methyl-2,4-dihydropyrazolo[4,3-c][1,5]benzodiazepin-5-yl)methanone IUPAC Name: [3-fluoro-4-[3-[4-(2-methylpropyl)piperazin-1-yl]propoxy]phenyl]-(1-methyl-2,4-dihydropyrazolo[4,3-c][1,5]benzodiazepin-5-yl)methanone Traditional Name: [3-fluoro-4-[3-(4-isobutylpiperazino)propoxy]phenyl]-(1-methyl-2,4-dihydropyrazolo[4,3-c][1,5]benzodiazepin-5-yl)methanone Formula: C29H37FN6O2 MolecularWeight: 520.641483

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1CCN(CC1)CCCOC2=C(C=C(C=C2)C(=O)N3CC4=CNN(C4=NC5=CC=CC=C53)C)F

Isomeric SMILES

CC(C)CN1CCN(CC1)CCCOC2=C(C=C(C=C2)C(=O)N3CC4=CNN(C4=NC5=CC=CC=C53)C)F

InChI

InChI=1S/C29H37FN6O2/c1-21(2)19-35-14-12-34(13-15-35)11-6-16-38-27-10-9-22(17-24(27)30)29(37)36-20-23-18-31-33(3)28(23)32-25-7-4-5-8-26(25)36/h4-5,7-10,17-18,21,31H,6,11-16,19-20H2,1-3H3