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

Systemtic Name: [4-[3-[4-(3,3-dimethylbutyl)piperazin-1-yl]propoxy]-2-fluoranyl-phenyl]-(1-methyl-2,4-dihydropyrazolo[4,3-c][1,5]benzodiazepin-5-yl)methanone Openeye Name: [4-[3-[4-(3,3-dimethylbutyl)piperazin-1-yl]propoxy]-2-fluoro-phenyl]-(1-methyl-2,4-dihydropyrazolo[4,3-c][1,5]benzodiazepin-5-yl)methanone CAS Name: [4-[3-[4-(3,3-dimethylbutyl)-1-piperazinyl]propoxy]-2-fluorophenyl]-(1-methyl-2,4-dihydropyrazolo[4,3-c][1,5]benzodiazepin-5-yl)methanone IUPAC Name: [4-[3-[4-(3,3-dimethylbutyl)piperazin-1-yl]propoxy]-2-fluorophenyl]-(1-methyl-2,4-dihydropyrazolo[4,3-c][1,5]benzodiazepin-5-yl)methanone Traditional Name: [4-[3-[4-(3,3-dimethylbutyl)piperazino]propoxy]-2-fluoro-phenyl]-(1-methyl-2,4-dihydropyrazolo[4,3-c][1,5]benzodiazepin-5-yl)methanone Formula: C31H41FN6O2 MolecularWeight: 548.694643

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CCN1CCN(CC1)CCCOC2=CC(=C(C=C2)C(=O)N3CC4=CNN(C4=NC5=CC=CC=C53)C)F

Isomeric SMILES

CC(C)(C)CCN1CCN(CC1)CCCOC2=CC(=C(C=C2)C(=O)N3CC4=CNN(C4=NC5=CC=CC=C53)C)F

InChI

InChI=1S/C31H41FN6O2/c1-31(2,3)12-14-37-17-15-36(16-18-37)13-7-19-40-24-10-11-25(26(32)20-24)30(39)38-22-23-21-33-35(4)29(23)34-27-8-5-6-9-28(27)38/h5-6,8-11,20-21,33H,7,12-19,22H2,1-4H3