azepan-1-yl-[5-[(2-fluorophenyl)methylamino]-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]methanone

Systemtic Name: azepan-1-yl-[5-[(2-fluorophenyl)methylamino]-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]methanone Openeye Name: azepan-1-yl-[5-[(2-fluorophenyl)methylamino]-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]methanone CAS Name: 1-azepanyl-[5-[(2-fluorophenyl)methylamino]-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]methanone IUPAC Name: azepan-1-yl-[5-[(2-fluorophenyl)methylamino]-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]methanone Traditional Name: azepan-1-yl-[5-[(2-fluorobenzyl)amino]-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]methanone Formula: C22H29FN4O MolecularWeight: 384.490263

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(CC(CC2)NCC3=CC=CC=C3F)C(=N1)C(=O)N4CCCCCC4

Isomeric SMILES

CN1C2=C(CC(CC2)NCC3=CC=CC=C3F)C(=N1)C(=O)N4CCCCCC4

InChI

InChI=1S/C22H29FN4O/c1-26-20-11-10-17(24-15-16-8-4-5-9-19(16)23)14-18(20)21(25-26)22(28)27-12-6-2-3-7-13-27/h4-5,8-9,17,24H,2-3,6-7,10-15H2,1H3