N-[[4-[(8-chloranyl-1-methyl-2,4-dihydropyrazolo[4,3-c][1,5]benzodiazepin-5-yl)carbonyl]-2-fluoranyl-phenyl]methyl]-1-(3,3-dimethylbutyl)piperidine-4-carboxamide

Systemtic Name: N-[[4-[(8-chloranyl-1-methyl-2,4-dihydropyrazolo[4,3-c][1,5]benzodiazepin-5-yl)carbonyl]-2-fluoranyl-phenyl]methyl]-1-(3,3-dimethylbutyl)piperidine-4-carboxamide Openeye Name: N-[[4-(8-chloro-1-methyl-2,4-dihydropyrazolo[4,3-c][1,5]benzodiazepine-5-carbonyl)-2-fluoro-phenyl]methyl]-1-(3,3-dimethylbutyl)piperidine-4-carboxamide CAS Name: N-[[4-[(8-chloro-1-methyl-2,4-dihydropyrazolo[4,3-c][1,5]benzodiazepin-5-yl)-oxomethyl]-2-fluorophenyl]methyl]-1-(3,3-dimethylbutyl)-4-piperidinecarboxamide IUPAC Name: N-[[4-(8-chloro-1-methyl-2,4-dihydropyrazolo[4,3-c][1,5]benzodiazepine-5-carbonyl)-2-fluorophenyl]methyl]-1-(3,3-dimethylbutyl)piperidine-4-carboxamide Traditional Name: N-[4-(8-chloro-1-methyl-2,4-dihydropyrazolo[4,3-c][1,5]benzodiazepine-5-carbonyl)-2-fluoro-benzyl]-1-(3,3-dimethylbutyl)isonipecotamide Formula: C31H38ClFN6O2 MolecularWeight: 581.123823

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CCN1CCC(CC1)C(=O)NCC2=C(C=C(C=C2)C(=O)N3CC4=CNN(C4=NC5=C3C=CC(=C5)Cl)C)F

Isomeric SMILES

CC(C)(C)CCN1CCC(CC1)C(=O)NCC2=C(C=C(C=C2)C(=O)N3CC4=CNN(C4=NC5=C3C=CC(=C5)Cl)C)F

InChI

InChI=1S/C31H38ClFN6O2/c1-31(2,3)11-14-38-12-9-20(10-13-38)29(40)34-17-22-6-5-21(15-25(22)33)30(41)39-19-23-18-35-37(4)28(23)36-26-16-24(32)7-8-27(26)39/h5-8,15-16,18,20,35H,9-14,17,19H2,1-4H3,(H,34,40)