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

Systemtic Name: (8-chloranyl-1-methyl-2,4-dihydropyrazolo[4,3-c][1,5]benzodiazepin-5-yl)-[4-[3-[4-(3,3-dimethylbutyl)piperazin-1-yl]propoxy]-2-fluoranyl-phenyl]methanone Openeye Name: (8-chloro-1-methyl-2,4-dihydropyrazolo[4,3-c][1,5]benzodiazepin-5-yl)-[4-[3-[4-(3,3-dimethylbutyl)piperazin-1-yl]propoxy]-2-fluoro-phenyl]methanone CAS Name: (8-chloro-1-methyl-2,4-dihydropyrazolo[4,3-c][1,5]benzodiazepin-5-yl)-[4-[3-[4-(3,3-dimethylbutyl)-1-piperazinyl]propoxy]-2-fluorophenyl]methanone IUPAC Name: (8-chloro-1-methyl-2,4-dihydropyrazolo[4,3-c][1,5]benzodiazepin-5-yl)-[4-[3-[4-(3,3-dimethylbutyl)piperazin-1-yl]propoxy]-2-fluorophenyl]methanone Traditional Name: (8-chloro-1-methyl-2,4-dihydropyrazolo[4,3-c][1,5]benzodiazepin-5-yl)-[4-[3-[4-(3,3-dimethylbutyl)piperazino]propoxy]-2-fluoro-phenyl]methanone Formula: C31H40ClFN6O2 MolecularWeight: 583.139703

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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=C3C=CC(=C5)Cl)C)F

Isomeric SMILES

CC(C)(C)CCN1CCN(CC1)CCCOC2=CC(=C(C=C2)C(=O)N3CC4=CNN(C4=NC5=C3C=CC(=C5)Cl)C)F

InChI

InChI=1S/C31H40ClFN6O2/c1-31(2,3)10-12-38-15-13-37(14-16-38)11-5-17-41-24-7-8-25(26(33)19-24)30(40)39-21-22-20-34-36(4)29(22)35-27-18-23(32)6-9-28(27)39/h6-9,18-20,34H,5,10-17,21H2,1-4H3